2-chloro-N-(4-ethylcyclohexyl)pyrimidin-4-amine

C12H18ClN3 — CID 62344065

IUPAC2-chloro-N-(4-ethylcyclohexyl)pyrimidin-4-amine
SMILESCCC1CCC(Nc2ccnc(Cl)n2)CC1
InChIInChI=1S/C12H18ClN3/c1-2-9-3-5-10(6-4-9)15-11-7-8-14-12(13)16-11/h7-10H,2-6H2,1H3,(H,14,15,16)
InChIKeyLGWXXBPAMUKETD-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.51
Rot. Bonds3

About 2-chloro-N-(4-ethylcyclohexyl)pyrimidin-4-amine

2-chloro-N-(4-ethylcyclohexyl)pyrimidin-4-amine (PubChem CID 62344065) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-chloro-N-(4-ethylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4-ethylcyclohexyl)pyrimidin-4-amine
PubChem CID62344065
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name2-chloro-N-(4-ethylcyclohexyl)pyrimidin-4-amine
SMILESCCC1CCC(Nc2ccnc(Cl)n2)CC1
InChIInChI=1S/C12H18ClN3/c1-2-9-3-5-10(6-4-9)15-11-7-8-14-12(13)16-11/h7-10H,2-6H2,1H3,(H,14,15,16)
InChIKeyLGWXXBPAMUKETD-UHFFFAOYSA-N
XLogP3.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(oxetan-3-yl)pyrimidin-4-amine
CID 140802487
6-N-(4-ethylcyclohexyl)pyridine-2,6-diamine
CID 80647393
N-(2-chloropyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472809
N-(7-bicyclo[4.1.0]heptanyl)-2-chloropyrimidin-4-amine
CID 130701603
4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine
CID 80765650
2-chloro-N-(2,2-dimethylcyclobutyl)pyrimidin-4-amine
CID 130556405
2-[(2-chloropyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 62344056
2-chloro-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414764
2-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine
CID 65391328
4-chloro-N-(4-ethylcyclohexyl)pyridin-3-amine
CID 83167830
4-N-(4-ethylcyclohexyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80803663
N-cyclopropyl-2-propan-2-ylpyrimidin-4-amine
CID 130920544

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-ethylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(4-ethylcyclohexyl)pyrimidin-4-amine (CID 62344065) is 2-chloro-N-(4-ethylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(4-ethylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(4-ethylcyclohexyl)pyrimidin-4-amine is CCC1CCC(Nc2ccnc(Cl)n2)CC1.
What is the InChIKey of 2-chloro-N-(4-ethylcyclohexyl)pyrimidin-4-amine?
The InChIKey is LGWXXBPAMUKETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-2-9-3-5-10(6-4-9)15-11-7-8-14-12(13)16-11/h7-10H,2-6H2,1H3,(H,14,15,16).
What are the key properties of 2-chloro-N-(4-ethylcyclohexyl)pyrimidin-4-amine?
2-chloro-N-(4-ethylcyclohexyl)pyrimidin-4-amine has a molecular weight of 239.75 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-ethylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 62344065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).