6-chloro-N-cyclopropyl-5-ethylpyrimidin-4-amine

C9H12ClN3 — CID 63734410

IUPAC6-chloro-N-cyclopropyl-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NC1CC1
InChIInChI=1S/C9H12ClN3/c1-2-7-8(10)11-5-12-9(7)13-6-3-4-6/h5-6H,2-4H2,1H3,(H,11,12,13)
InChIKeyYIAFRTDSJLTKHQ-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.27
Rot. Bonds3

About 6-chloro-N-cyclopropyl-5-ethylpyrimidin-4-amine

6-chloro-N-cyclopropyl-5-ethylpyrimidin-4-amine (PubChem CID 63734410) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 6-chloro-N-cyclopropyl-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopropyl-5-ethylpyrimidin-4-amine
PubChem CID63734410
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name6-chloro-N-cyclopropyl-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NC1CC1
InChIInChI=1S/C9H12ClN3/c1-2-7-8(10)11-5-12-9(7)13-6-3-4-6/h5-6H,2-4H2,1H3,(H,11,12,13)
InChIKeyYIAFRTDSJLTKHQ-UHFFFAOYSA-N
XLogP2.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 63729756
6-chloro-N-(3,5-dimethylcyclohexyl)-5-ethylpyrimidin-4-amine
CID 64732155
6-chloro-5-ethyl-N-(thiolan-3-yl)pyrimidin-4-amine
CID 103064329
N-cyclopropyl-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80932555
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
5-ethyl-6-hydrazinyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80944076
6-chloro-N-(3-methylsulfanylcyclopentyl)-5-propylpyrimidin-4-amine
CID 114123827
6-chloro-N-(1-cyclohexylethyl)-5-ethylpyrimidin-4-amine
CID 63728520
2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine
CID 89032813

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopropyl-5-ethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-cyclopropyl-5-ethylpyrimidin-4-amine (CID 63734410) is 6-chloro-N-cyclopropyl-5-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclopropyl-5-ethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-cyclopropyl-5-ethylpyrimidin-4-amine is CCc1c(Cl)ncnc1NC1CC1.
What is the InChIKey of 6-chloro-N-cyclopropyl-5-ethylpyrimidin-4-amine?
The InChIKey is YIAFRTDSJLTKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-2-7-8(10)11-5-12-9(7)13-6-3-4-6/h5-6H,2-4H2,1H3,(H,11,12,13).
What are the key properties of 6-chloro-N-cyclopropyl-5-ethylpyrimidin-4-amine?
6-chloro-N-cyclopropyl-5-ethylpyrimidin-4-amine has a molecular weight of 197.67 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopropyl-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 63734410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).