4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine

C9H12ClN3 — CID 82460935

IUPAC4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine
SMILESCCc1cc(Cl)nc(NC2CC2)n1
InChIInChI=1S/C9H12ClN3/c1-2-6-5-8(10)13-9(11-6)12-7-3-4-7/h5,7H,2-4H2,1H3,(H,11,12,13)
InChIKeyVSYZFAACCRZYFA-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.27
Rot. Bonds3

About 4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine

4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine (PubChem CID 82460935) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine
PubChem CID82460935
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine
SMILESCCc1cc(Cl)nc(NC2CC2)n1
InChIInChI=1S/C9H12ClN3/c1-2-6-5-8(10)13-9(11-6)12-7-3-4-7/h5,7H,2-4H2,1H3,(H,11,12,13)
InChIKeyVSYZFAACCRZYFA-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

4-chloro-N-cyclopropyl-6-propylpyrimidin-2-amine
CID 82461167
4,6-dichloro-N-(4-fluorocyclohexyl)pyrimidin-2-amine
CID 139300223
3-[(4-chloro-6-ethylpyrimidin-2-yl)amino]propan-1-ol
CID 82460980
2-chloro-N-cyclopentyl-6-ethylpyrimidin-4-amine
CID 82460547
N-(4,6-dichloropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 155715390
4-chloro-2,6-diethylpyrimidine
CID 43557605
4-chloro-2-(1-chloroethyl)-6-ethylpyrimidine
CID 80663980
4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine
CID 22254066
4-chloro-6-ethyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-amine
CID 82460969
4-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine
CID 79110713
6-chloro-2-N-cyclopropyl-4-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 138049509
4-chloro-N-cyclopentyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 19428512

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine?
The IUPAC name of 4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine (CID 82460935) is 4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine is CCc1cc(Cl)nc(NC2CC2)n1.
What is the InChIKey of 4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine?
The InChIKey is VSYZFAACCRZYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-2-6-5-8(10)13-9(11-6)12-7-3-4-7/h5,7H,2-4H2,1H3,(H,11,12,13).
What are the key properties of 4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine?
4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-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 4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine is sourced from PubChem (CID 82460935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).