5-bromo-2-cyclohexyl-N-methyl-6-phenylpyrimidin-4-amine

C17H20BrN3 — CID 66294532

IUPAC5-bromo-2-cyclohexyl-N-methyl-6-phenylpyrimidin-4-amine
SMILESCNc1nc(C2CCCCC2)nc(-c2ccccc2)c1Br
InChIInChI=1S/C17H20BrN3/c1-19-17-14(18)15(12-8-4-2-5-9-12)20-16(21-17)13-10-6-3-7-11-13/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H,19,20,21)
InChIKeyBPMQUXLDIBBBCJ-UHFFFAOYSA-N
MW346.27 g/mol
LogP5.00
Rot. Bonds3

About 5-bromo-2-cyclohexyl-N-methyl-6-phenylpyrimidin-4-amine

5-bromo-2-cyclohexyl-N-methyl-6-phenylpyrimidin-4-amine (PubChem CID 66294532) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 5-bromo-2-cyclohexyl-N-methyl-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-cyclohexyl-N-methyl-6-phenylpyrimidin-4-amine
PubChem CID66294532
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC Name5-bromo-2-cyclohexyl-N-methyl-6-phenylpyrimidin-4-amine
SMILESCNc1nc(C2CCCCC2)nc(-c2ccccc2)c1Br
InChIInChI=1S/C17H20BrN3/c1-19-17-14(18)15(12-8-4-2-5-9-12)20-16(21-17)13-10-6-3-7-11-13/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H,19,20,21)
InChIKeyBPMQUXLDIBBBCJ-UHFFFAOYSA-N
XLogP5.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-cyclobutyl-N-methyl-6-phenylpyrimidin-4-amine
CID 66294324
5-bromo-2-cycloheptyl-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66300892
5-bromo-2-cyclooctyl-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 80609914
5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-phenylpyrimidin-4-amine
CID 66294321
5-bromo-2-(furan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine
CID 66294315
2-cyclooctyl-5-iodo-N-methylpyrimidin-4-amine
CID 80611090
5-bromo-N-methyl-2-(3-methylbutyl)-6-phenylpyrimidin-4-amine
CID 66294519
2-cyclopropyl-N,5-dimethyl-6-pyridin-4-ylpyrimidin-4-amine
CID 80975742
4,6-dichloro-2-cyclohexyl-5-phenylpyrimidine
CID 65429518
2-cycloheptyl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 65399993
2-cyclohexyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 55044530
6-tert-butyl-2-cycloheptyl-5-iodo-N-methylpyrimidin-4-amine
CID 66298619

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclohexyl-N-methyl-6-phenylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-cyclohexyl-N-methyl-6-phenylpyrimidin-4-amine (CID 66294532) is 5-bromo-2-cyclohexyl-N-methyl-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-cyclohexyl-N-methyl-6-phenylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-cyclohexyl-N-methyl-6-phenylpyrimidin-4-amine is CNc1nc(C2CCCCC2)nc(-c2ccccc2)c1Br.
What is the InChIKey of 5-bromo-2-cyclohexyl-N-methyl-6-phenylpyrimidin-4-amine?
The InChIKey is BPMQUXLDIBBBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c1-19-17-14(18)15(12-8-4-2-5-9-12)20-16(21-17)13-10-6-3-7-11-13/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H,19,20,21).
What are the key properties of 5-bromo-2-cyclohexyl-N-methyl-6-phenylpyrimidin-4-amine?
5-bromo-2-cyclohexyl-N-methyl-6-phenylpyrimidin-4-amine has a molecular weight of 346.27 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclohexyl-N-methyl-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 66294532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).