N-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine

C14H15N5 — CID 58205175

IUPACN-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine
SMILESCc1cc(C)cc(CNc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C14H15N5/c1-9-3-10(2)5-11(4-9)6-15-13-12-14(17-7-16-12)19-8-18-13/h3-5,7-8H,6H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyCUGJLMTVBOGSBW-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.58
Rot. Bonds3

About N-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine

N-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine (PubChem CID 58205175) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine
PubChem CID58205175
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC NameN-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine
SMILESCc1cc(C)cc(CNc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C14H15N5/c1-9-3-10(2)5-11(4-9)6-15-13-12-14(17-7-16-12)19-8-18-13/h3-5,7-8H,6H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyCUGJLMTVBOGSBW-UHFFFAOYSA-N
XLogP2.58
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methyl-3-pyridinyl)methyl]-7H-purin-6-amine
CID 60965843
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-7H-purin-6-amine
CID 10223442
N-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine
CID 61397737
N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine
CID 62314113
N-[(3-methylsulfanylphenyl)methyl]-7H-purin-6-amine
CID 39840813
N-[(3,4-dimethoxyphenyl)methyl]-7H-purin-6-amine
CID 11529329
N-[[4-(difluoromethyl)phenyl]methyl]-7H-purin-6-amine
CID 133474798
N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-7H-purin-6-amine
CID 94432722
(7H-purin-6-ylamino)methanol
CID 86209273
N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 62664479
N-[(5-methyl-2-phenylmethoxyphenyl)methyl]-7H-purin-6-amine
CID 141033688
N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-7H-purin-6-amine
CID 47078601

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine (CID 58205175) is N-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine is Cc1cc(C)cc(CNc2ncnc3nc[nH]c23)c1.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine?
The InChIKey is CUGJLMTVBOGSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-9-3-10(2)5-11(4-9)6-15-13-12-14(17-7-16-12)19-8-18-13/h3-5,7-8H,6H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of N-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine?
N-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine has a molecular weight of 253.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine is sourced from PubChem (CID 58205175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).