9-cyclopropyl-N-(2,6-dimethylphenyl)purin-6-amine

C16H17N5 — CID 163344743

IUPAC9-cyclopropyl-N-(2,6-dimethylphenyl)purin-6-amine
SMILESCc1cccc(C)c1Nc1ncnc2c1ncn2C1CC1
InChIInChI=1S/C16H17N5/c1-10-4-3-5-11(2)13(10)20-15-14-16(18-8-17-15)21(9-19-14)12-6-7-12/h3-5,8-9,12H,6-7H2,1-2H3,(H,17,18,20)
InChIKeyMSDNCAWAJFDFKX-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.52
Rot. Bonds3

About 9-cyclopropyl-N-(2,6-dimethylphenyl)purin-6-amine

9-cyclopropyl-N-(2,6-dimethylphenyl)purin-6-amine (PubChem CID 163344743) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 9-cyclopropyl-N-(2,6-dimethylphenyl)purin-6-amine.

Molecular Properties

Compound Name9-cyclopropyl-N-(2,6-dimethylphenyl)purin-6-amine
PubChem CID163344743
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name9-cyclopropyl-N-(2,6-dimethylphenyl)purin-6-amine
SMILESCc1cccc(C)c1Nc1ncnc2c1ncn2C1CC1
InChIInChI=1S/C16H17N5/c1-10-4-3-5-11(2)13(10)20-15-14-16(18-8-17-15)21(9-19-14)12-6-7-12/h3-5,8-9,12H,6-7H2,1-2H3,(H,17,18,20)
InChIKeyMSDNCAWAJFDFKX-UHFFFAOYSA-N
XLogP3.52
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-cyclopropyl-N-(2,3-difluorophenyl)purin-6-amine
CID 154829307
9-cyclopropyl-N-(3-methylbutyl)purin-6-amine
CID 169041252
N-(3-chloro-4-fluorophenyl)-9-cyclopropylpurin-6-amine
CID 154829347
9-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]purin-6-amine
CID 136544668
9-cyclopropyl-N-(1,2-thiazol-5-ylmethyl)purin-6-amine
CID 166246142
9-cyclopentyl-N-pentylpurin-6-amine
CID 142647479
6-[(9-cyclopropylpurin-6-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one
CID 136544673
9-cyclopropyl-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]purin-6-amine
CID 136544652
9-cyclopropyl-N-(2-quinolin-3-ylethyl)purin-6-amine
CID 146140725
9-cyclopropyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)purine
CID 154829192
3-[6-(benzylamino)purin-9-yl]-1-methylcyclobutan-1-ol
CID 155962940
2-[(9-cyclopropylpurin-6-yl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 136544645

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-N-(2,6-dimethylphenyl)purin-6-amine?
The IUPAC name of 9-cyclopropyl-N-(2,6-dimethylphenyl)purin-6-amine (CID 163344743) is 9-cyclopropyl-N-(2,6-dimethylphenyl)purin-6-amine.
What is the SMILES notation for 9-cyclopropyl-N-(2,6-dimethylphenyl)purin-6-amine?
The canonical SMILES for 9-cyclopropyl-N-(2,6-dimethylphenyl)purin-6-amine is Cc1cccc(C)c1Nc1ncnc2c1ncn2C1CC1.
What is the InChIKey of 9-cyclopropyl-N-(2,6-dimethylphenyl)purin-6-amine?
The InChIKey is MSDNCAWAJFDFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-10-4-3-5-11(2)13(10)20-15-14-16(18-8-17-15)21(9-19-14)12-6-7-12/h3-5,8-9,12H,6-7H2,1-2H3,(H,17,18,20).
What are the key properties of 9-cyclopropyl-N-(2,6-dimethylphenyl)purin-6-amine?
9-cyclopropyl-N-(2,6-dimethylphenyl)purin-6-amine has a molecular weight of 279.35 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-N-(2,6-dimethylphenyl)purin-6-amine is sourced from PubChem (CID 163344743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).