4-N-cyclopentyl-6-N-phenylpyrimidine-4,5,6-triamine

C15H19N5 — CID 19147747

IUPAC4-N-cyclopentyl-6-N-phenylpyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccccc2)ncnc1NC1CCCC1
InChIInChI=1S/C15H19N5/c16-13-14(19-11-6-2-1-3-7-11)17-10-18-15(13)20-12-8-4-5-9-12/h1-3,6-7,10,12H,4-5,8-9,16H2,(H2,17,18,19,20)
InChIKeyZARYACIEDNEEFY-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.16
Rot. Bonds4

About 4-N-cyclopentyl-6-N-phenylpyrimidine-4,5,6-triamine

4-N-cyclopentyl-6-N-phenylpyrimidine-4,5,6-triamine (PubChem CID 19147747) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-N-cyclopentyl-6-N-phenylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-cyclopentyl-6-N-phenylpyrimidine-4,5,6-triamine
PubChem CID19147747
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name4-N-cyclopentyl-6-N-phenylpyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccccc2)ncnc1NC1CCCC1
InChIInChI=1S/C15H19N5/c16-13-14(19-11-6-2-1-3-7-11)17-10-18-15(13)20-12-8-4-5-9-12/h1-3,6-7,10,12H,4-5,8-9,16H2,(H2,17,18,19,20)
InChIKeyZARYACIEDNEEFY-UHFFFAOYSA-N
XLogP3.16
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]amino]benzoic acid
CID 19154101
6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951
4-N-cycloheptyl-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149168
4-N-cyclopentyl-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149265
N-[4-[[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 19153335
methyl 4-[[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]amino]benzoate
CID 19149466
4-N-cyclopentyl-6-phenoxypyrimidine-4,5-diamine
CID 19152582
6-N-benzyl-4-N-cyclohexylpyrimidine-4,5,6-triamine
CID 19135747
4-N-cyclopentyl-6-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544200
4-N-cyclopentyl-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148201
6-N-(4-butoxyphenyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine
CID 19143097
4-N-cyclohexyl-6-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19135798

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-6-N-phenylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-cyclopentyl-6-N-phenylpyrimidine-4,5,6-triamine (CID 19147747) is 4-N-cyclopentyl-6-N-phenylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-cyclopentyl-6-N-phenylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-cyclopentyl-6-N-phenylpyrimidine-4,5,6-triamine is Nc1c(Nc2ccccc2)ncnc1NC1CCCC1.
What is the InChIKey of 4-N-cyclopentyl-6-N-phenylpyrimidine-4,5,6-triamine?
The InChIKey is ZARYACIEDNEEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c16-13-14(19-11-6-2-1-3-7-11)17-10-18-15(13)20-12-8-4-5-9-12/h1-3,6-7,10,12H,4-5,8-9,16H2,(H2,17,18,19,20).
What are the key properties of 4-N-cyclopentyl-6-N-phenylpyrimidine-4,5,6-triamine?
4-N-cyclopentyl-6-N-phenylpyrimidine-4,5,6-triamine has a molecular weight of 269.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-6-N-phenylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19147747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).