6-N-(3-chloro-2-methylphenyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine

C18H24ClN5 — CID 22545486

IUPAC6-N-(3-chloro-2-methylphenyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine
SMILESCc1c(Cl)cccc1Nc1ncnc(NC2CCCCCC2)c1N
InChIInChI=1S/C18H24ClN5/c1-12-14(19)9-6-10-15(12)24-18-16(20)17(21-11-22-18)23-13-7-4-2-3-5-8-13/h6,9-11,13H,2-5,7-8,20H2,1H3,(H2,21,22,23,24)
InChIKeyULXOZXUMGHDPPO-UHFFFAOYSA-N
MW345.88 g/mol
LogP4.90
Rot. Bonds4

About 6-N-(3-chloro-2-methylphenyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine

6-N-(3-chloro-2-methylphenyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine (PubChem CID 22545486) has the molecular formula C18H24ClN5 and a molecular weight of 345.88 g/mol. Its IUPAC name is 6-N-(3-chloro-2-methylphenyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(3-chloro-2-methylphenyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine
PubChem CID22545486
Molecular FormulaC18H24ClN5
Molecular Weight345.88 g/mol
Exact Mass345.17
IUPAC Name6-N-(3-chloro-2-methylphenyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine
SMILESCc1c(Cl)cccc1Nc1ncnc(NC2CCCCCC2)c1N
InChIInChI=1S/C18H24ClN5/c1-12-14(19)9-6-10-15(12)24-18-16(20)17(21-11-22-18)23-13-7-4-2-3-5-8-13/h6,9-11,13H,2-5,7-8,20H2,1H3,(H2,21,22,23,24)
InChIKeyULXOZXUMGHDPPO-UHFFFAOYSA-N
XLogP4.90
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.88
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-chloro-2-methylphenyl)-6-cyclohexyloxypyrimidine-4,5-diamine
CID 22545500
3-chloro-N-cyclohexyl-2-methylaniline
CID 29276475
4-N-cycloheptyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19149860
4-N-cyclopentyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19149855
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-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951
4-N-(3-chloro-2-methylphenyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545302
6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19143159
4-N-cyclohexyl-6-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19135798
N-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80928095
4-N-cyclopentyl-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19152871

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chloro-2-methylphenyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(3-chloro-2-methylphenyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine (CID 22545486) is 6-N-(3-chloro-2-methylphenyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(3-chloro-2-methylphenyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(3-chloro-2-methylphenyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine is Cc1c(Cl)cccc1Nc1ncnc(NC2CCCCCC2)c1N.
What is the InChIKey of 6-N-(3-chloro-2-methylphenyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine?
The InChIKey is ULXOZXUMGHDPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5/c1-12-14(19)9-6-10-15(12)24-18-16(20)17(21-11-22-18)23-13-7-4-2-3-5-8-13/h6,9-11,13H,2-5,7-8,20H2,1H3,(H2,21,22,23,24).
What are the key properties of 6-N-(3-chloro-2-methylphenyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine?
6-N-(3-chloro-2-methylphenyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine has a molecular weight of 345.88 g/mol, XLogP of 4.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chloro-2-methylphenyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 22545486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).