(2-amino-6-chloropurin-9-yl)-(5-chloro-3,4-dimethyl-2-pyridinyl)methanone

C13H10Cl2N6O — CID 141225946

IUPAC(2-amino-6-chloropurin-9-yl)-(5-chloro-3,4-dimethyl-2-pyridinyl)methanone
SMILESCc1c(Cl)cnc(C(=O)n2cnc3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C13H10Cl2N6O/c1-5-6(2)8(17-3-7(5)14)12(22)21-4-18-9-10(15)19-13(16)20-11(9)21/h3-4H,1-2H3,(H2,16,19,20)
InChIKeyWVXQWMFBWXKXLC-UHFFFAOYSA-N
MW337.17 g/mol
LogP2.42
Rot. Bonds1

About (2-amino-6-chloropurin-9-yl)-(5-chloro-3,4-dimethyl-2-pyridinyl)methanone

(2-amino-6-chloropurin-9-yl)-(5-chloro-3,4-dimethyl-2-pyridinyl)methanone (PubChem CID 141225946) has the molecular formula C13H10Cl2N6O and a molecular weight of 337.17 g/mol. Its IUPAC name is (2-amino-6-chloropurin-9-yl)-(5-chloro-3,4-dimethyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(2-amino-6-chloropurin-9-yl)-(5-chloro-3,4-dimethyl-2-pyridinyl)methanone
PubChem CID141225946
Molecular FormulaC13H10Cl2N6O
Molecular Weight337.17 g/mol
Exact Mass336.03
IUPAC Name(2-amino-6-chloropurin-9-yl)-(5-chloro-3,4-dimethyl-2-pyridinyl)methanone
SMILESCc1c(Cl)cnc(C(=O)n2cnc3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C13H10Cl2N6O/c1-5-6(2)8(17-3-7(5)14)12(22)21-4-18-9-10(15)19-13(16)20-11(9)21/h3-4H,1-2H3,(H2,16,19,20)
InChIKeyWVXQWMFBWXKXLC-UHFFFAOYSA-N
XLogP2.42
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2-amino-6-chloropurin-9-yl)-(5-chloro-3,4-dimethyl-2-pyridinyl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(2-amino-6-bromopurin-9-yl)-(5-methoxy-3,4-dimethyl-2-pyridinyl)methanone
CID 141225953
2-amino-N-tert-butyl-6-chloropurine-9-carboxamide
CID 87502615
6-chloro-9-[(4,5,6-trimethyl-3-pyridinyl)methyl]purin-2-amine
CID 89371902
6-chloro-9-[(E)-prop-1-enyl]purin-2-amine
CID 71615634
6-chloro-9-pentylpurin-2-amine
CID 139201177
6-chloro-9-ethenylpurin-2-amine
CID 15374495
6-chloro-9-[(3,5-dimethyl-4-propoxy-2-pyridinyl)oxy]purin-2-amine
CID 142778742
6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine;methanesulfonic acid
CID 56843312
2-amino-9-(2,4-dichlorobenzoyl)-1H-purin-6-one
CID 135416496
6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine
CID 143429732
4-(2-amino-6-chloropurin-9-yl)-7-ethoxy-6-ethoxycarbonyl-7-oxoheptanoic acid
CID 174540561
6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine;ethane
CID 143429731

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-chloropurin-9-yl)-(5-chloro-3,4-dimethyl-2-pyridinyl)methanone?
The IUPAC name of (2-amino-6-chloropurin-9-yl)-(5-chloro-3,4-dimethyl-2-pyridinyl)methanone (CID 141225946) is (2-amino-6-chloropurin-9-yl)-(5-chloro-3,4-dimethyl-2-pyridinyl)methanone.
What is the SMILES notation for (2-amino-6-chloropurin-9-yl)-(5-chloro-3,4-dimethyl-2-pyridinyl)methanone?
The canonical SMILES for (2-amino-6-chloropurin-9-yl)-(5-chloro-3,4-dimethyl-2-pyridinyl)methanone is Cc1c(Cl)cnc(C(=O)n2cnc3c(Cl)nc(N)nc32)c1C.
What is the InChIKey of (2-amino-6-chloropurin-9-yl)-(5-chloro-3,4-dimethyl-2-pyridinyl)methanone?
The InChIKey is WVXQWMFBWXKXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N6O/c1-5-6(2)8(17-3-7(5)14)12(22)21-4-18-9-10(15)19-13(16)20-11(9)21/h3-4H,1-2H3,(H2,16,19,20).
What are the key properties of (2-amino-6-chloropurin-9-yl)-(5-chloro-3,4-dimethyl-2-pyridinyl)methanone?
(2-amino-6-chloropurin-9-yl)-(5-chloro-3,4-dimethyl-2-pyridinyl)methanone has a molecular weight of 337.17 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-chloropurin-9-yl)-(5-chloro-3,4-dimethyl-2-pyridinyl)methanone is sourced from PubChem (CID 141225946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).