2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(4-methoxy-2-pyridinyl)-2-methylpropanamide

C15H17N7O2S — CID 167288941

IUPAC2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(4-methoxy-2-pyridinyl)-2-methylpropanamide
SMILESCOc1ccnc(NC(=O)C(C)(C)Sc2nc(N)nc3nc[nH]c23)c1
InChIInChI=1S/C15H17N7O2S/c1-15(2,13(23)20-9-6-8(24-3)4-5-17-9)25-12-10-11(19-7-18-10)21-14(16)22-12/h4-7H,1-3H3,(H,17,20,23)(H3,16,18,19,21,22)
InChIKeyHVBLBJOENPOOBM-UHFFFAOYSA-N
MW359.42 g/mol
LogP1.85
Rot. Bonds5

About 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(4-methoxy-2-pyridinyl)-2-methylpropanamide

2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(4-methoxy-2-pyridinyl)-2-methylpropanamide (PubChem CID 167288941) has the molecular formula C15H17N7O2S and a molecular weight of 359.42 g/mol. Its IUPAC name is 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(4-methoxy-2-pyridinyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(4-methoxy-2-pyridinyl)-2-methylpropanamide
PubChem CID167288941
Molecular FormulaC15H17N7O2S
Molecular Weight359.42 g/mol
Exact Mass359.12
IUPAC Name2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(4-methoxy-2-pyridinyl)-2-methylpropanamide
SMILESCOc1ccnc(NC(=O)C(C)(C)Sc2nc(N)nc3nc[nH]c23)c1
InChIInChI=1S/C15H17N7O2S/c1-15(2,13(23)20-9-6-8(24-3)4-5-17-9)25-12-10-11(19-7-18-10)21-14(16)22-12/h4-7H,1-3H3,(H,17,20,23)(H3,16,18,19,21,22)
InChIKeyHVBLBJOENPOOBM-UHFFFAOYSA-N
XLogP1.85
TPSA131.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(4-methoxypyrimidin-2-yl)-2-methylpropanamide
CID 166565085
6-[2-[(4-methoxy-2-pyridinyl)amino]ethylsulfanyl]-7H-purin-2-amine
CID 166565302
2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]-2-methylpropanamide
CID 166565260
2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(4-methoxypyrimidin-2-yl)-3-methylbutanamide
CID 167288355
methyl 5-[[2-[(2-amino-7H-purin-6-yl)sulfanyl]acetyl]amino]-2-methoxybenzoate
CID 167288017
6-[2-[(4-methoxypyrimidin-2-yl)amino]ethylsulfanyl]-7H-purin-2-amine
CID 167288010
2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(4-hydroxy-3-methoxyphenyl)butanamide
CID 166565091
1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one
CID 3336308
3-[(2-amino-7H-purin-6-yl)sulfanyl]-2-(3,4-dimethoxyanilino)propanoic acid
CID 166565164
(2R)-2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(6-oxo-1H-pyrimidin-2-yl)butanamide
CID 167288380
6-(2-methoxy-4-pyridinyl)-7H-purin-2-amine
CID 114052406
(2S)-2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[4-(trifluoromethyl)pyrimidin-2-yl]butanamide
CID 166565257

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(4-methoxy-2-pyridinyl)-2-methylpropanamide?
The IUPAC name of 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(4-methoxy-2-pyridinyl)-2-methylpropanamide (CID 167288941) is 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(4-methoxy-2-pyridinyl)-2-methylpropanamide.
What is the SMILES notation for 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(4-methoxy-2-pyridinyl)-2-methylpropanamide?
The canonical SMILES for 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(4-methoxy-2-pyridinyl)-2-methylpropanamide is COc1ccnc(NC(=O)C(C)(C)Sc2nc(N)nc3nc[nH]c23)c1.
What is the InChIKey of 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(4-methoxy-2-pyridinyl)-2-methylpropanamide?
The InChIKey is HVBLBJOENPOOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O2S/c1-15(2,13(23)20-9-6-8(24-3)4-5-17-9)25-12-10-11(19-7-18-10)21-14(16)22-12/h4-7H,1-3H3,(H,17,20,23)(H3,16,18,19,21,22).
What are the key properties of 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(4-methoxy-2-pyridinyl)-2-methylpropanamide?
2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(4-methoxy-2-pyridinyl)-2-methylpropanamide has a molecular weight of 359.42 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(4-methoxy-2-pyridinyl)-2-methylpropanamide is sourced from PubChem (CID 167288941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).