4-N-cyclopentyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine

C15H17Cl2N5 — CID 19149855

IUPAC4-N-cyclopentyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(Cl)cc2Cl)ncnc1NC1CCCC1
InChIInChI=1S/C15H17Cl2N5/c16-9-5-6-12(11(17)7-9)22-15-13(18)14(19-8-20-15)21-10-3-1-2-4-10/h5-8,10H,1-4,18H2,(H2,19,20,21,22)
InChIKeyFXUWSSMXVLIGDD-UHFFFAOYSA-N
MW338.24 g/mol
LogP4.46
Rot. Bonds4

About 4-N-cyclopentyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine

4-N-cyclopentyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine (PubChem CID 19149855) has the molecular formula C15H17Cl2N5 and a molecular weight of 338.24 g/mol. Its IUPAC name is 4-N-cyclopentyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-cyclopentyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine
PubChem CID19149855
Molecular FormulaC15H17Cl2N5
Molecular Weight338.24 g/mol
Exact Mass337.09
IUPAC Name4-N-cyclopentyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(Cl)cc2Cl)ncnc1NC1CCCC1
InChIInChI=1S/C15H17Cl2N5/c16-9-5-6-12(11(17)7-9)22-15-13(18)14(19-8-20-15)21-10-3-1-2-4-10/h5-8,10H,1-4,18H2,(H2,19,20,21,22)
InChIKeyFXUWSSMXVLIGDD-UHFFFAOYSA-N
XLogP4.46
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cycloheptyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19149860
6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 22546108
6-N-(3-chloro-4-fluorophenyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine
CID 19135885
4-N-cyclohexyl-6-N-(2,4-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23487762
6-N-(2,4-dichlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544993
6-N-(3-chloro-2-methylphenyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine
CID 22545486
4-N-cyclopentyl-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147747
6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951
6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142724
6-N-(1,3-benzodioxol-5-yl)-4-N-cyclohexylpyrimidine-4,5,6-triamine
CID 22542049
6-N-(2,4-dichlorophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541920
4-N-cyclopentyl-6-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544200

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-cyclopentyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine (CID 19149855) is 4-N-cyclopentyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-cyclopentyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-cyclopentyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine is Nc1c(Nc2ccc(Cl)cc2Cl)ncnc1NC1CCCC1.
What is the InChIKey of 4-N-cyclopentyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine?
The InChIKey is FXUWSSMXVLIGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N5/c16-9-5-6-12(11(17)7-9)22-15-13(18)14(19-8-20-15)21-10-3-1-2-4-10/h5-8,10H,1-4,18H2,(H2,19,20,21,22).
What are the key properties of 4-N-cyclopentyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine?
4-N-cyclopentyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine has a molecular weight of 338.24 g/mol, XLogP of 4.46, 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-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19149855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).