6-chloro-5-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine

C13H20ClN3 — CID 63729756

IUPAC6-chloro-5-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NC1CCC(C)CC1
InChIInChI=1S/C13H20ClN3/c1-3-11-12(14)15-8-16-13(11)17-10-6-4-9(2)5-7-10/h8-10H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyFMVPGFWZWYPFRQ-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.68
Rot. Bonds3

About 6-chloro-5-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine

6-chloro-5-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine (PubChem CID 63729756) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 6-chloro-5-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
PubChem CID63729756
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name6-chloro-5-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NC1CCC(C)CC1
InChIInChI=1S/C13H20ClN3/c1-3-11-12(14)15-8-16-13(11)17-10-6-4-9(2)5-7-10/h8-10H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyFMVPGFWZWYPFRQ-UHFFFAOYSA-N
XLogP3.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-cyclopropyl-5-ethylpyrimidin-4-amine
CID 63734410
6-chloro-N-(3,5-dimethylcyclohexyl)-5-ethylpyrimidin-4-amine
CID 64732155
5-ethyl-6-hydrazinyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80944076
6-chloro-5-ethyl-N-(thiolan-3-yl)pyrimidin-4-amine
CID 103064329
1-[[(6-chloro-5-ethylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65121660
N-cyclopropyl-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80932555
6-chloro-N-(4-methylcycloheptyl)-5-propan-2-ylpyrimidin-4-amine
CID 114101538
6-chloro-N-(3-methylsulfanylcyclopentyl)-5-propylpyrimidin-4-amine
CID 114123827
4-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine
CID 80770074
[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 106364141
4-N-cyclobutyl-5-ethylpyrimidine-4,6-diamine
CID 80827503
6-chloro-N-(4-ethylcyclohexyl)-5-methylpyrimidin-4-amine
CID 63728973

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine (CID 63729756) is 6-chloro-5-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine is CCc1c(Cl)ncnc1NC1CCC(C)CC1.
What is the InChIKey of 6-chloro-5-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine?
The InChIKey is FMVPGFWZWYPFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-3-11-12(14)15-8-16-13(11)17-10-6-4-9(2)5-7-10/h8-10H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of 6-chloro-5-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine?
6-chloro-5-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine has a molecular weight of 253.78 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 63729756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).