2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-yl-7H-pteridin-6-one;propane

C21H31ClN6O2 — CID 143894167

IUPAC2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-yl-7H-pteridin-6-one;propane
SMILESCCC.COc1c(C)cnc(CN2CC(=O)N(C(C)C)c3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C18H23ClN6O2.C3H8/c1-9(2)25-13(26)8-24(17-14(25)16(19)22-18(20)23-17)7-12-11(4)15(27-5)10(3)6-21-12;1-3-2/h6,9H,7-8H2,1-5H3,(H2,20,22,23);3H2,1-2H3
InChIKeyORBVVYYOZSKOPS-UHFFFAOYSA-N
MW434.97 g/mol
LogP3.91
Rot. Bonds4

About 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-yl-7H-pteridin-6-one;propane

2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-yl-7H-pteridin-6-one;propane (PubChem CID 143894167) has the molecular formula C21H31ClN6O2 and a molecular weight of 434.97 g/mol. Its IUPAC name is 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-yl-7H-pteridin-6-one;propane.

Molecular Properties

Compound Name2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-yl-7H-pteridin-6-one;propane
PubChem CID143894167
Molecular FormulaC21H31ClN6O2
Molecular Weight434.97 g/mol
Exact Mass434.22
IUPAC Name2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-yl-7H-pteridin-6-one;propane
SMILESCCC.COc1c(C)cnc(CN2CC(=O)N(C(C)C)c3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C18H23ClN6O2.C3H8/c1-9(2)25-13(26)8-24(17-14(25)16(19)22-18(20)23-17)7-12-11(4)15(27-5)10(3)6-21-12;1-3-2/h6,9H,7-8H2,1-5H3,(H2,20,22,23);3H2,1-2H3
InChIKeyORBVVYYOZSKOPS-UHFFFAOYSA-N
XLogP3.91
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.97
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-yl-7H-pteridin-6-one;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-bromo-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-methylpropyl)-7H-pteridin-6-one
CID 58278361
2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(4-morpholin-4-ylbutanoyl)-7H-pteridin-6-one
CID 58278300
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
2-amino-4-chloro-6-(cyclopentylmethylidene)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pyrido[2,3-d]pyrimidin-5-one
CID 75034193
1-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-2-methylpropan-2-ol
CID 88579415
[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methylurea
CID 87576735
[(5S)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methylurea
CID 87576733
4-chloro-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-propylpyrazolo[5,4-d]pyrimidin-6-amine
CID 143021211
2-amino-4-chloro-8-[(3-chloro-4,5,6-trimethoxy-2-pyridinyl)methyl]-5-(2-methylpropyl)-7H-pteridin-6-one
CID 45268063
2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methylpurin-8-one
CID 24784386
5-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid
CID 58278619
(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[4-(3-methyl-2-oxobutyl)-1H-pyrrol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one
CID 58278325

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-yl-7H-pteridin-6-one;propane?
The IUPAC name of 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-yl-7H-pteridin-6-one;propane (CID 143894167) is 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-yl-7H-pteridin-6-one;propane.
What is the SMILES notation for 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-yl-7H-pteridin-6-one;propane?
The canonical SMILES for 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-yl-7H-pteridin-6-one;propane is CCC.COc1c(C)cnc(CN2CC(=O)N(C(C)C)c3c(Cl)nc(N)nc32)c1C.
What is the InChIKey of 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-yl-7H-pteridin-6-one;propane?
The InChIKey is ORBVVYYOZSKOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O2.C3H8/c1-9(2)25-13(26)8-24(17-14(25)16(19)22-18(20)23-17)7-12-11(4)15(27-5)10(3)6-21-12;1-3-2/h6,9H,7-8H2,1-5H3,(H2,20,22,23);3H2,1-2H3.
What are the key properties of 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-yl-7H-pteridin-6-one;propane?
2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-yl-7H-pteridin-6-one;propane has a molecular weight of 434.97 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-yl-7H-pteridin-6-one;propane is sourced from PubChem (CID 143894167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).