2-amino-4-chloro-5-(2-hydroxyethyl)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-6-one;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-methylpropyl)-7H-pteridin-6-one;2-[2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxo-7H-pteridin-5-yl]-N,N-diethylacetamide;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-pyrrolidin-1-ylethyl)-7H-pteridin-6-one

C78H102Cl4N26O10 — CID 159804372

IUPAC2-amino-4-chloro-5-(2-hydroxyethyl)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-6-one;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-methylpropyl)-7H-pteridin-6-one;2-[2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxo-7H-pteridin-5-yl]-N,N-diethylacetamide;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-pyrrolidin-1-ylethyl)-7H-pteridin-6-one
SMILESCCN(CC)C(=O)CN1C(=O)CN(Cc2ncc(C)c(OC)c2C)c2nc(N)nc(Cl)c21.COc1c(C)cnc(CN2CC(=O)N(CC(C)C)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2CC(=O)N(CCN3CCCC3)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2CC(=O)N(CCO)c3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C21H28ClN7O3.C21H28ClN7O2.C19H25ClN6O2.C17H21ClN6O3/c1-6-27(7-2)15(30)11-29-16(31)10-28(20-17(29)19(22)25-21(23)26-20)9-14-13(4)18(32-5)12(3)8-24-14;1-13-10-24-15(14(2)18(13)31-3)11-28-12-16(30)29(9-8-27-6-4-5-7-27)17-19(22)25-21(23)26-20(17)28;1-10(2)7-26-14(27)9-25(18-15(26)17(20)23-19(21)24-18)8-13-12(4)16(28-5)11(3)6-22-13;1-9-6-20-11(10(2)14(9)27-3)7-23-8-12(26)24(4-5-25)13-15(18)21-17(19)22-16(13)23/h8H,6-7,9-11H2,1-5H3,(H2,23,25,26);10H,4-9,11-12H2,1-3H3,(H2,23,25,26);6,10H,7-9H2,1-5H3,(H2,21,23,24);6,25H,4-5,7-8H2,1-3H3,(H2,19,21,22)
InChIKeyNKEVPHXMBDNLBX-UHFFFAOYSA-N
MW1705.66 g/mol
LogP7.96
Rot. Bonds23

About 2-amino-4-chloro-5-(2-hydroxyethyl)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-6-one;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-methylpropyl)-7H-pteridin-6-one;2-[2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxo-7H-pteridin-5-yl]-N,N-diethylacetamide;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-pyrrolidin-1-ylethyl)-7H-pteridin-6-one

2-amino-4-chloro-5-(2-hydroxyethyl)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-6-one;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-methylpropyl)-7H-pteridin-6-one;2-[2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxo-7H-pteridin-5-yl]-N,N-diethylacetamide;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-pyrrolidin-1-ylethyl)-7H-pteridin-6-one (PubChem CID 159804372) has the molecular formula C78H102Cl4N26O10 and a molecular weight of 1705.66 g/mol. Its IUPAC name is 2-amino-4-chloro-5-(2-hydroxyethyl)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-6-one;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-methylpropyl)-7H-pteridin-6-one;2-[2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxo-7H-pteridin-5-yl]-N,N-diethylacetamide;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-pyrrolidin-1-ylethyl)-7H-pteridin-6-one.

Molecular Properties

Compound Name2-amino-4-chloro-5-(2-hydroxyethyl)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-6-one;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-methylpropyl)-7H-pteridin-6-one;2-[2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxo-7H-pteridin-5-yl]-N,N-diethylacetamide;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-pyrrolidin-1-ylethyl)-7H-pteridin-6-one
PubChem CID159804372
Molecular FormulaC78H102Cl4N26O10
Molecular Weight1705.66 g/mol
Exact Mass1702.70
IUPAC Name2-amino-4-chloro-5-(2-hydroxyethyl)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-6-one;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-methylpropyl)-7H-pteridin-6-one;2-[2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxo-7H-pteridin-5-yl]-N,N-diethylacetamide;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-pyrrolidin-1-ylethyl)-7H-pteridin-6-one
SMILESCCN(CC)C(=O)CN1C(=O)CN(Cc2ncc(C)c(OC)c2C)c2nc(N)nc(Cl)c21.COc1c(C)cnc(CN2CC(=O)N(CC(C)C)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2CC(=O)N(CCN3CCCC3)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2CC(=O)N(CCO)c3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C21H28ClN7O3.C21H28ClN7O2.C19H25ClN6O2.C17H21ClN6O3/c1-6-27(7-2)15(30)11-29-16(31)10-28(20-17(29)19(22)25-21(23)26-20)9-14-13(4)18(32-5)12(3)8-24-14;1-13-10-24-15(14(2)18(13)31-3)11-28-12-16(30)29(9-8-27-6-4-5-7-27)17-19(22)25-21(23)26-20(17)28;1-10(2)7-26-14(27)9-25(18-15(26)17(20)23-19(21)24-18)8-13-12(4)16(28-5)11(3)6-22-13;1-9-6-20-11(10(2)14(9)27-3)7-23-8-12(26)24(4-5-25)13-15(18)21-17(19)22-16(13)23/h8H,6-7,9-11H2,1-5H3,(H2,23,25,26);10H,4-9,11-12H2,1-3H3,(H2,23,25,26);6,10H,7-9H2,1-5H3,(H2,21,23,24);6,25H,4-5,7-8H2,1-3H3,(H2,19,21,22)
InChIKeyNKEVPHXMBDNLBX-UHFFFAOYSA-N
XLogP7.96
TPSA433.66 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds23
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001705.66
LogP ≤ 57.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Analyze 2-amino-4-chloro-5-(2-hydroxyethyl)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-6-one;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-methylpropyl)-7H-pteridin-6-one;2-[2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxo-7H-pteridin-5-yl]-N,N-diethylacetamide;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-pyrrolidin-1-ylethyl)-7H-pteridin-6-one with MolForge

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Launch Full Analysis

Related Compounds

2-Amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]-5,7-dihydropteridin-6-one
CID 25158767
2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-methylpropyl)-7H-pteridin-6-one
CID 44188451
2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-yl-7H-pteridin-6-one
CID 44470393
2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(4-methylpentyl)-7H-pteridin-6-one
CID 44481984
2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methyl-7H-pteridin-6-one
CID 44481985
2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-pyrrolidin-1-ylethyl)-7H-pteridin-6-one
CID 44481986
(7R)-2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methyl-5,7-dihydropteridin-6-one
CID 44482265
(7S)-2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methyl-5,7-dihydropteridin-6-one
CID 44482528
(7S)-2-amino-4-chloro-7-(2-hydroxyethyl)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one
CID 44482529
(7S)-2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-propan-2-yl-5,7-dihydropteridin-6-one
CID 45267198
(7S)-2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,7-di(propan-2-yl)-7H-pteridin-6-one
CID 45267199
(7S)-2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(2-methylpropyl)-5,7-dihydropteridin-6-one
CID 45268057

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-5-(2-hydroxyethyl)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-6-one;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-methylpropyl)-7H-pteridin-6-one;2-[2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxo-7H-pteridin-5-yl]-N,N-diethylacetamide;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-pyrrolidin-1-ylethyl)-7H-pteridin-6-one?
The IUPAC name of 2-amino-4-chloro-5-(2-hydroxyethyl)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-6-one;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-methylpropyl)-7H-pteridin-6-one;2-[2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxo-7H-pteridin-5-yl]-N,N-diethylacetamide;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-pyrrolidin-1-ylethyl)-7H-pteridin-6-one (CID 159804372) is 2-amino-4-chloro-5-(2-hydroxyethyl)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-6-one;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-methylpropyl)-7H-pteridin-6-one;2-[2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxo-7H-pteridin-5-yl]-N,N-diethylacetamide;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-pyrrolidin-1-ylethyl)-7H-pteridin-6-one.
What is the SMILES notation for 2-amino-4-chloro-5-(2-hydroxyethyl)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-6-one;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-methylpropyl)-7H-pteridin-6-one;2-[2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxo-7H-pteridin-5-yl]-N,N-diethylacetamide;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-pyrrolidin-1-ylethyl)-7H-pteridin-6-one?
The canonical SMILES for 2-amino-4-chloro-5-(2-hydroxyethyl)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-6-one;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-methylpropyl)-7H-pteridin-6-one;2-[2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxo-7H-pteridin-5-yl]-N,N-diethylacetamide;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-pyrrolidin-1-ylethyl)-7H-pteridin-6-one is CCN(CC)C(=O)CN1C(=O)CN(Cc2ncc(C)c(OC)c2C)c2nc(N)nc(Cl)c21.COc1c(C)cnc(CN2CC(=O)N(CC(C)C)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2CC(=O)N(CCN3CCCC3)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2CC(=O)N(CCO)c3c(Cl)nc(N)nc32)c1C.
What is the InChIKey of 2-amino-4-chloro-5-(2-hydroxyethyl)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-6-one;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-methylpropyl)-7H-pteridin-6-one;2-[2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxo-7H-pteridin-5-yl]-N,N-diethylacetamide;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-pyrrolidin-1-ylethyl)-7H-pteridin-6-one?
The InChIKey is NKEVPHXMBDNLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN7O3.C21H28ClN7O2.C19H25ClN6O2.C17H21ClN6O3/c1-6-27(7-2)15(30)11-29-16(31)10-28(20-17(29)19(22)25-21(23)26-20)9-14-13(4)18(32-5)12(3)8-24-14;1-13-10-24-15(14(2)18(13)31-3)11-28-12-16(30)29(9-8-27-6-4-5-7-27)17-19(22)25-21(23)26-20(17)28;1-10(2)7-26-14(27)9-25(18-15(26)17(20)23-19(21)24-18)8-13-12(4)16(28-5)11(3)6-22-13;1-9-6-20-11(10(2)14(9)27-3)7-23-8-12(26)24(4-5-25)13-15(18)21-17(19)22-16(13)23/h8H,6-7,9-11H2,1-5H3,(H2,23,25,26);10H,4-9,11-12H2,1-3H3,(H2,23,25,26);6,10H,7-9H2,1-5H3,(H2,21,23,24);6,25H,4-5,7-8H2,1-3H3,(H2,19,21,22).
What are the key properties of 2-amino-4-chloro-5-(2-hydroxyethyl)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-6-one;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-methylpropyl)-7H-pteridin-6-one;2-[2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxo-7H-pteridin-5-yl]-N,N-diethylacetamide;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-pyrrolidin-1-ylethyl)-7H-pteridin-6-one?
2-amino-4-chloro-5-(2-hydroxyethyl)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-6-one;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-methylpropyl)-7H-pteridin-6-one;2-[2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxo-7H-pteridin-5-yl]-N,N-diethylacetamide;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-pyrrolidin-1-ylethyl)-7H-pteridin-6-one has a molecular weight of 1705.66 g/mol, XLogP of 7.96, 23 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-5-(2-hydroxyethyl)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-6-one;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-methylpropyl)-7H-pteridin-6-one;2-[2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxo-7H-pteridin-5-yl]-N,N-diethylacetamide;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-pyrrolidin-1-ylethyl)-7H-pteridin-6-one is sourced from PubChem (CID 159804372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).