N-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine

C15H17N5 — CID 61397737

IUPACN-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine
SMILESCC(C)c1ccc(CNc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C15H17N5/c1-10(2)12-5-3-11(4-6-12)7-16-14-13-15(18-8-17-13)20-9-19-14/h3-6,8-10H,7H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyRNOJBMZBILIVEB-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.09
Rot. Bonds4

About N-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine

N-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine (PubChem CID 61397737) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine
PubChem CID61397737
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine
SMILESCC(C)c1ccc(CNc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C15H17N5/c1-10(2)12-5-3-11(4-6-12)7-16-14-13-15(18-8-17-13)20-9-19-14/h3-6,8-10H,7H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyRNOJBMZBILIVEB-UHFFFAOYSA-N
XLogP3.09
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(difluoromethyl)phenyl]methyl]-7H-purin-6-amine
CID 133474798
N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-7H-purin-6-amine
CID 94432722
N-[(6-methyl-3-pyridinyl)methyl]-7H-purin-6-amine
CID 60965843
N-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine
CID 58205175
N-[(3,4-dimethoxyphenyl)methyl]-7H-purin-6-amine
CID 11529329
N-[(3-methylsulfanylphenyl)methyl]-7H-purin-6-amine
CID 39840813
N-benzyl-7H-purin-6-amine;7H-purine
CID 70256184
N-[(2-amino-3-propan-2-ylphenyl)methyl]-7H-purin-6-amine
CID 67542477
N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 62664479
N-cyclopropyl-4-[(7H-purin-6-ylamino)methyl]benzamide
CID 47072892
5-ethyl-6-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-4,6-diamine
CID 80792894
2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol
CID 69242881

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine?
The IUPAC name of N-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine (CID 61397737) is N-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine?
The canonical SMILES for N-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine is CC(C)c1ccc(CNc2ncnc3nc[nH]c23)cc1.
What is the InChIKey of N-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine?
The InChIKey is RNOJBMZBILIVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-10(2)12-5-3-11(4-6-12)7-16-14-13-15(18-8-17-13)20-9-19-14/h3-6,8-10H,7H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of N-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine?
N-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine has a molecular weight of 267.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine is sourced from PubChem (CID 61397737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).