6-chloro-9-[(3,5-dimethyl-4-propan-2-yloxy-2-pyridinyl)methyl]purin-2-amine

C16H19ClN6O — CID 16737556

IUPAC6-chloro-9-[(3,5-dimethyl-4-propan-2-yloxy-2-pyridinyl)methyl]purin-2-amine
SMILESCc1cnc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c1OC(C)C
InChIInChI=1S/C16H19ClN6O/c1-8(2)24-13-9(3)5-19-11(10(13)4)6-23-7-20-12-14(17)21-16(18)22-15(12)23/h5,7-8H,6H2,1-4H3,(H2,18,21,22)
InChIKeyVWHQUZPQEXXSEQ-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.91
Rot. Bonds4

About 6-chloro-9-[(3,5-dimethyl-4-propan-2-yloxy-2-pyridinyl)methyl]purin-2-amine

6-chloro-9-[(3,5-dimethyl-4-propan-2-yloxy-2-pyridinyl)methyl]purin-2-amine (PubChem CID 16737556) has the molecular formula C16H19ClN6O and a molecular weight of 346.82 g/mol. Its IUPAC name is 6-chloro-9-[(3,5-dimethyl-4-propan-2-yloxy-2-pyridinyl)methyl]purin-2-amine.

Molecular Properties

Compound Name6-chloro-9-[(3,5-dimethyl-4-propan-2-yloxy-2-pyridinyl)methyl]purin-2-amine
PubChem CID16737556
Molecular FormulaC16H19ClN6O
Molecular Weight346.82 g/mol
Exact Mass346.13
IUPAC Name6-chloro-9-[(3,5-dimethyl-4-propan-2-yloxy-2-pyridinyl)methyl]purin-2-amine
SMILESCc1cnc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c1OC(C)C
InChIInChI=1S/C16H19ClN6O/c1-8(2)24-13-9(3)5-19-11(10(13)4)6-23-7-20-12-14(17)21-16(18)22-15(12)23/h5,7-8H,6H2,1-4H3,(H2,18,21,22)
InChIKeyVWHQUZPQEXXSEQ-UHFFFAOYSA-N
XLogP2.91
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-chloro-9-[(3,5-dimethyl-4-propan-2-yloxy-2-pyridinyl)methyl]purin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-[(3,5-dimethyl-4-propan-2-yloxy-2-pyridinyl)methyl]purin-2-amine?
The IUPAC name of 6-chloro-9-[(3,5-dimethyl-4-propan-2-yloxy-2-pyridinyl)methyl]purin-2-amine (CID 16737556) is 6-chloro-9-[(3,5-dimethyl-4-propan-2-yloxy-2-pyridinyl)methyl]purin-2-amine.
What is the SMILES notation for 6-chloro-9-[(3,5-dimethyl-4-propan-2-yloxy-2-pyridinyl)methyl]purin-2-amine?
The canonical SMILES for 6-chloro-9-[(3,5-dimethyl-4-propan-2-yloxy-2-pyridinyl)methyl]purin-2-amine is Cc1cnc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c1OC(C)C.
What is the InChIKey of 6-chloro-9-[(3,5-dimethyl-4-propan-2-yloxy-2-pyridinyl)methyl]purin-2-amine?
The InChIKey is VWHQUZPQEXXSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O/c1-8(2)24-13-9(3)5-19-11(10(13)4)6-23-7-20-12-14(17)21-16(18)22-15(12)23/h5,7-8H,6H2,1-4H3,(H2,18,21,22).
What are the key properties of 6-chloro-9-[(3,5-dimethyl-4-propan-2-yloxy-2-pyridinyl)methyl]purin-2-amine?
6-chloro-9-[(3,5-dimethyl-4-propan-2-yloxy-2-pyridinyl)methyl]purin-2-amine has a molecular weight of 346.82 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-[(3,5-dimethyl-4-propan-2-yloxy-2-pyridinyl)methyl]purin-2-amine is sourced from PubChem (CID 16737556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).