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

C16H24BrClN2 — CID 66293008

IUPAC5-bromo-4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine
SMILESCCCC1CCC(c2nc(Cl)c(Br)c(C(C)C)n2)CC1
InChIInChI=1S/C16H24BrClN2/c1-4-5-11-6-8-12(9-7-11)16-19-14(10(2)3)13(17)15(18)20-16/h10-12H,4-9H2,1-3H3
InChIKeyBVOBMUYFXXAXRH-UHFFFAOYSA-N
MW359.74 g/mol
LogP6.09
Rot. Bonds4

About 5-bromo-4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine

5-bromo-4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine (PubChem CID 66293008) has the molecular formula C16H24BrClN2 and a molecular weight of 359.74 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine
PubChem CID66293008
Molecular FormulaC16H24BrClN2
Molecular Weight359.74 g/mol
Exact Mass358.08
IUPAC Name5-bromo-4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine
SMILESCCCC1CCC(c2nc(Cl)c(Br)c(C(C)C)n2)CC1
InChIInChI=1S/C16H24BrClN2/c1-4-5-11-6-8-12(9-7-11)16-19-14(10(2)3)13(17)15(18)20-16/h10-12H,4-9H2,1-3H3
InChIKeyBVOBMUYFXXAXRH-UHFFFAOYSA-N
XLogP6.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.74
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine (CID 66293008) is 5-bromo-4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine is CCCC1CCC(c2nc(Cl)c(Br)c(C(C)C)n2)CC1.
What is the InChIKey of 5-bromo-4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine?
The InChIKey is BVOBMUYFXXAXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrClN2/c1-4-5-11-6-8-12(9-7-11)16-19-14(10(2)3)13(17)15(18)20-16/h10-12H,4-9H2,1-3H3.
What are the key properties of 5-bromo-4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine?
5-bromo-4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine has a molecular weight of 359.74 g/mol, XLogP of 6.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine is sourced from PubChem (CID 66293008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).