N-(6-chloro-7H-purin-2-yl)-4-methylpentanamide

C11H14ClN5O — CID 114052462

IUPACN-(6-chloro-7H-purin-2-yl)-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1nc(Cl)c2[nH]cnc2n1
InChIInChI=1S/C11H14ClN5O/c1-6(2)3-4-7(18)15-11-16-9(12)8-10(17-11)14-5-13-8/h5-6H,3-4H2,1-2H3,(H2,13,14,15,16,17,18)
InChIKeyBIOIXJFRMMGRHY-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.38
Rot. Bonds4

About N-(6-chloro-7H-purin-2-yl)-4-methylpentanamide

N-(6-chloro-7H-purin-2-yl)-4-methylpentanamide (PubChem CID 114052462) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is N-(6-chloro-7H-purin-2-yl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(6-chloro-7H-purin-2-yl)-4-methylpentanamide
PubChem CID114052462
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC NameN-(6-chloro-7H-purin-2-yl)-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1nc(Cl)c2[nH]cnc2n1
InChIInChI=1S/C11H14ClN5O/c1-6(2)3-4-7(18)15-11-16-9(12)8-10(17-11)14-5-13-8/h5-6H,3-4H2,1-2H3,(H2,13,14,15,16,17,18)
InChIKeyBIOIXJFRMMGRHY-UHFFFAOYSA-N
XLogP2.38
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-7H-purin-2-yl)heptanamide
CID 114052494
2-amino-N-(6-chloro-7H-purin-2-yl)butanamide
CID 114052303
3-amino-N-(6-amino-7H-purin-2-yl)propanamide
CID 140616343
N-(6-chloro-7H-purin-2-yl)thiadiazole-5-carboxamide
CID 114052468
N-(6-chloro-7H-purin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 114052490
benzyl N-(6-chloro-7H-purin-2-yl)carbamate
CID 130581137
N-(6-chloro-7H-purin-2-yl)-2-methylpropane-2-sulfonamide
CID 114052583
6-chloro-N-[1-(furan-3-yl)ethyl]-7H-purin-2-amine
CID 171679860
N-(2-chloropyrimidin-4-yl)-4-methylpentanamide
CID 116798365
6-chloro-N-(cyclopenta-2,4-dien-1-ylmethyl)-7H-purin-2-amine;cyclopentane;iron
CID 11985898
N-(6-oxo-1,7-dihydropurin-2-yl)butanamide
CID 135411165
2-[[2-(ethylamino)-7H-purin-6-yl]amino]-N-(2-methylpropyl)acetamide
CID 114786088

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-7H-purin-2-yl)-4-methylpentanamide?
The IUPAC name of N-(6-chloro-7H-purin-2-yl)-4-methylpentanamide (CID 114052462) is N-(6-chloro-7H-purin-2-yl)-4-methylpentanamide.
What is the SMILES notation for N-(6-chloro-7H-purin-2-yl)-4-methylpentanamide?
The canonical SMILES for N-(6-chloro-7H-purin-2-yl)-4-methylpentanamide is CC(C)CCC(=O)Nc1nc(Cl)c2[nH]cnc2n1.
What is the InChIKey of N-(6-chloro-7H-purin-2-yl)-4-methylpentanamide?
The InChIKey is BIOIXJFRMMGRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-6(2)3-4-7(18)15-11-16-9(12)8-10(17-11)14-5-13-8/h5-6H,3-4H2,1-2H3,(H2,13,14,15,16,17,18).
What are the key properties of N-(6-chloro-7H-purin-2-yl)-4-methylpentanamide?
N-(6-chloro-7H-purin-2-yl)-4-methylpentanamide has a molecular weight of 267.72 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-7H-purin-2-yl)-4-methylpentanamide is sourced from PubChem (CID 114052462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).