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

C17H21Cl2N5 — CID 19149860

IUPAC4-N-cycloheptyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(Cl)cc2Cl)ncnc1NC1CCCCCC1
InChIInChI=1S/C17H21Cl2N5/c18-11-7-8-14(13(19)9-11)24-17-15(20)16(21-10-22-17)23-12-5-3-1-2-4-6-12/h7-10,12H,1-6,20H2,(H2,21,22,23,24)
InChIKeyASFTWKSNELTAMQ-UHFFFAOYSA-N
MW366.30 g/mol
LogP5.24
Rot. Bonds4

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

4-N-cycloheptyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine (PubChem CID 19149860) has the molecular formula C17H21Cl2N5 and a molecular weight of 366.30 g/mol. Its IUPAC name is 4-N-cycloheptyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-cycloheptyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine
PubChem CID19149860
Molecular FormulaC17H21Cl2N5
Molecular Weight366.30 g/mol
Exact Mass365.12
IUPAC Name4-N-cycloheptyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(Cl)cc2Cl)ncnc1NC1CCCCCC1
InChIInChI=1S/C17H21Cl2N5/c18-11-7-8-14(13(19)9-11)24-17-15(20)16(21-10-22-17)23-12-5-3-1-2-4-6-12/h7-10,12H,1-6,20H2,(H2,21,22,23,24)
InChIKeyASFTWKSNELTAMQ-UHFFFAOYSA-N
XLogP5.24
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.30
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclopentyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19149855
6-N-(3-chloro-4-fluorophenyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine
CID 19135885
6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 22546108
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
6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951
4-N-cyclopentyl-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147747
6-N-(1,3-benzodioxol-5-yl)-4-N-cyclohexylpyrimidine-4,5,6-triamine
CID 22542049
4-N-cyclohexyl-6-N-(2,5-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23487733
6-chloro-N-cyclohexylquinazolin-4-amine
CID 13231193
4-N-cycloheptyl-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149168

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-cycloheptyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine (CID 19149860) is 4-N-cycloheptyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-cycloheptyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-cycloheptyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine is Nc1c(Nc2ccc(Cl)cc2Cl)ncnc1NC1CCCCCC1.
What is the InChIKey of 4-N-cycloheptyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine?
The InChIKey is ASFTWKSNELTAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N5/c18-11-7-8-14(13(19)9-11)24-17-15(20)16(21-10-22-17)23-12-5-3-1-2-4-6-12/h7-10,12H,1-6,20H2,(H2,21,22,23,24).
What are the key properties of 4-N-cycloheptyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine?
4-N-cycloheptyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine has a molecular weight of 366.30 g/mol, XLogP of 5.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cycloheptyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19149860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).