N-(3-chloro-4-methylphenyl)-7H-purin-6-amine

C12H10ClN5 — CID 2155036

IUPACN-(3-chloro-4-methylphenyl)-7H-purin-6-amine
SMILESCc1ccc(Nc2ncnc3nc[nH]c23)cc1Cl
InChIInChI=1S/C12H10ClN5/c1-7-2-3-8(4-9(7)13)18-12-10-11(15-5-14-10)16-6-17-12/h2-6H,1H3,(H2,14,15,16,17,18)
InChIKeyYJLBGPKVRIBYSC-UHFFFAOYSA-N
MW259.70 g/mol
LogP3.06
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)-7H-purin-6-amine

N-(3-chloro-4-methylphenyl)-7H-purin-6-amine (PubChem CID 2155036) has the molecular formula C12H10ClN5 and a molecular weight of 259.70 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-7H-purin-6-amine
PubChem CID2155036
Molecular FormulaC12H10ClN5
Molecular Weight259.70 g/mol
Exact Mass259.06
IUPAC NameN-(3-chloro-4-methylphenyl)-7H-purin-6-amine
SMILESCc1ccc(Nc2ncnc3nc[nH]c23)cc1Cl
InChIInChI=1S/C12H10ClN5/c1-7-2-3-8(4-9(7)13)18-12-10-11(15-5-14-10)16-6-17-12/h2-6H,1H3,(H2,14,15,16,17,18)
InChIKeyYJLBGPKVRIBYSC-UHFFFAOYSA-N
XLogP3.06
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(trifluoromethoxy)phenyl]-7H-purin-6-amine
CID 69241710
4-(7H-purin-6-ylamino)benzenesulfonic acid
CID 22147127
1-(3,4-dichlorophenyl)-3-(7H-purin-6-yl)urea
CID 11034643
N-(3,5-difluorophenyl)-7H-purin-6-amine
CID 69242091
1-N-(4-methylphenyl)-2-N-(7H-purin-6-yl)benzene-1,2-diamine
CID 108778162
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-purin-6-amine
CID 108777633
N-[2-(trifluoromethyl)-4-pyridinyl]-7H-purin-6-amine
CID 164805836
1-N-(2-methyl-6-phenylpyrimidin-4-yl)-3-N-(7H-purin-6-yl)benzene-1,3-diamine
CID 108775233
N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-7H-purin-6-amine
CID 108778059
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-7H-purin-6-amine
CID 108772051
6-N-(3-chloro-4-methylphenyl)-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22546620
N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-7H-purin-6-amine
CID 108779625

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-7H-purin-6-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-7H-purin-6-amine (CID 2155036) is N-(3-chloro-4-methylphenyl)-7H-purin-6-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-7H-purin-6-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-7H-purin-6-amine is Cc1ccc(Nc2ncnc3nc[nH]c23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-7H-purin-6-amine?
The InChIKey is YJLBGPKVRIBYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5/c1-7-2-3-8(4-9(7)13)18-12-10-11(15-5-14-10)16-6-17-12/h2-6H,1H3,(H2,14,15,16,17,18).
What are the key properties of N-(3-chloro-4-methylphenyl)-7H-purin-6-amine?
N-(3-chloro-4-methylphenyl)-7H-purin-6-amine has a molecular weight of 259.70 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-7H-purin-6-amine is sourced from PubChem (CID 2155036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).