4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine

C16H25ClN2 — CID 65425407

IUPAC4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine
SMILESCCCC1CCC(c2nc(Cl)cc(C(C)C)n2)CC1
InChIInChI=1S/C16H25ClN2/c1-4-5-12-6-8-13(9-7-12)16-18-14(11(2)3)10-15(17)19-16/h10-13H,4-9H2,1-3H3
InChIKeyKDBQTPWMYAPCJN-UHFFFAOYSA-N
MW280.84 g/mol
LogP5.33
Rot. Bonds4

About 4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine

4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine (PubChem CID 65425407) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine
PubChem CID65425407
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine
SMILESCCCC1CCC(c2nc(Cl)cc(C(C)C)n2)CC1
InChIInChI=1S/C16H25ClN2/c1-4-5-12-6-8-13(9-7-12)16-18-14(11(2)3)10-15(17)19-16/h10-13H,4-9H2,1-3H3
InChIKeyKDBQTPWMYAPCJN-UHFFFAOYSA-N
XLogP5.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.84
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidin-4-amine
CID 65403198
2-(4-ethylcyclohexyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 65391131
5-chloro-3-(4-propylcyclohexyl)-1,2,4-thiadiazole
CID 65400393
6-chloro-2-cyclopropyl-N-methyl-N-pentan-2-ylpyrimidin-4-amine
CID 80953921
6-chloro-2-cyclopropyl-N-(2-propylcyclopropyl)pyrimidin-4-amine
CID 103880293
6-chloro-2-cyclopropyl-N-hexan-2-ylpyrimidin-4-amine
CID 80950895
6-chloro-2-cyclopropyl-N-(3-cyclopropylpropyl)pyrimidin-4-amine
CID 115875632
N,6-dimethyl-2-(4-propylcyclohexyl)pyrimidin-4-amine
CID 65401576
2-cyclopropyl-4-methoxy-6-propan-2-ylpyrimidine
CID 139361220
N-methyl-2-(4-methylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine
CID 55193471
6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine
CID 80948003
N-butan-2-yl-6-chloro-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80953404

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine?
The IUPAC name of 4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine (CID 65425407) is 4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine?
The canonical SMILES for 4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine is CCCC1CCC(c2nc(Cl)cc(C(C)C)n2)CC1.
What is the InChIKey of 4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine?
The InChIKey is KDBQTPWMYAPCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-4-5-12-6-8-13(9-7-12)16-18-14(11(2)3)10-15(17)19-16/h10-13H,4-9H2,1-3H3.
What are the key properties of 4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine?
4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine has a molecular weight of 280.84 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine is sourced from PubChem (CID 65425407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).