2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(2-morpholin-4-ylethyl)purin-8-one

C20H26ClN7O3 — CID 87691956

IUPAC2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(2-morpholin-4-ylethyl)purin-8-one
SMILESCOc1c(C)cnc(Cn2c(=O)n(CCN3CCOCC3)c3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C20H26ClN7O3/c1-12-10-23-14(13(2)16(12)30-3)11-28-18-15(17(21)24-19(22)25-18)27(20(28)29)5-4-26-6-8-31-9-7-26/h10H,4-9,11H2,1-3H3,(H2,22,24,25)
InChIKeyCUECHAPLUZBXOQ-UHFFFAOYSA-N
MW447.93 g/mol
LogP1.23
Rot. Bonds6

About 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(2-morpholin-4-ylethyl)purin-8-one

2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(2-morpholin-4-ylethyl)purin-8-one (PubChem CID 87691956) has the molecular formula C20H26ClN7O3 and a molecular weight of 447.93 g/mol. Its IUPAC name is 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(2-morpholin-4-ylethyl)purin-8-one.

Molecular Properties

Compound Name2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(2-morpholin-4-ylethyl)purin-8-one
PubChem CID87691956
Molecular FormulaC20H26ClN7O3
Molecular Weight447.93 g/mol
Exact Mass447.18
IUPAC Name2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(2-morpholin-4-ylethyl)purin-8-one
SMILESCOc1c(C)cnc(Cn2c(=O)n(CCN3CCOCC3)c3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C20H26ClN7O3/c1-12-10-23-14(13(2)16(12)30-3)11-28-18-15(17(21)24-19(22)25-18)27(20(28)29)5-4-26-6-8-31-9-7-26/h10H,4-9,11H2,1-3H3,(H2,22,24,25)
InChIKeyCUECHAPLUZBXOQ-UHFFFAOYSA-N
XLogP1.23
TPSA113.32 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(2-morpholin-4-ylethyl)purin-8-one with MolForge

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Launch Full Analysis

Related Compounds

2-amino-6-chloro-7-[2-(dimethylamino)ethyl]-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-8-one
CID 87864338
2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methylpurin-8-one
CID 24784386
2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-[(3-methoxyphenyl)methyl]purin-8-one
CID 87864242
2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-[(3-nitrophenyl)methyl]purin-8-one
CID 87665895
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine
CID 171130228
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-6-chloro-9-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-7-(3-pyrrol-1-ylpropyl)purin-8-one
CID 59002302
2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-(oxan-4-yl)pyrido[2,3-d]pyrimidin-5-one
CID 58278633
4-chloro-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-propylpyrazolo[5,4-d]pyrimidin-6-amine
CID 143021211
2-amino-6-chloro-7-[3-(3-methyl-2,3-dihydropyrrol-1-yl)propyl]-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-8-one
CID 143524268
2-amino-6-chloro-9-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-7-pent-2-ynylpurin-8-one
CID 24784639
4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 88579492

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(2-morpholin-4-ylethyl)purin-8-one?
The IUPAC name of 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(2-morpholin-4-ylethyl)purin-8-one (CID 87691956) is 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(2-morpholin-4-ylethyl)purin-8-one.
What is the SMILES notation for 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(2-morpholin-4-ylethyl)purin-8-one?
The canonical SMILES for 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(2-morpholin-4-ylethyl)purin-8-one is COc1c(C)cnc(Cn2c(=O)n(CCN3CCOCC3)c3c(Cl)nc(N)nc32)c1C.
What is the InChIKey of 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(2-morpholin-4-ylethyl)purin-8-one?
The InChIKey is CUECHAPLUZBXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN7O3/c1-12-10-23-14(13(2)16(12)30-3)11-28-18-15(17(21)24-19(22)25-18)27(20(28)29)5-4-26-6-8-31-9-7-26/h10H,4-9,11H2,1-3H3,(H2,22,24,25).
What are the key properties of 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(2-morpholin-4-ylethyl)purin-8-one?
2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(2-morpholin-4-ylethyl)purin-8-one has a molecular weight of 447.93 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(2-morpholin-4-ylethyl)purin-8-one is sourced from PubChem (CID 87691956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).