5-bromo-2-(4-cyclopropylphenyl)-6-ethyl-N-methylpyrimidin-4-amine

C16H18BrN3 — CID 79980128

IUPAC5-bromo-2-(4-cyclopropylphenyl)-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(-c2ccc(C3CC3)cc2)nc(NC)c1Br
InChIInChI=1S/C16H18BrN3/c1-3-13-14(17)16(18-2)20-15(19-13)12-8-6-11(7-9-12)10-4-5-10/h6-10H,3-5H2,1-2H3,(H,18,19,20)
InChIKeyMOIOMXUBMBPHKV-UHFFFAOYSA-N
MW332.25 g/mol
LogP4.39
Rot. Bonds4

About 5-bromo-2-(4-cyclopropylphenyl)-6-ethyl-N-methylpyrimidin-4-amine

5-bromo-2-(4-cyclopropylphenyl)-6-ethyl-N-methylpyrimidin-4-amine (PubChem CID 79980128) has the molecular formula C16H18BrN3 and a molecular weight of 332.25 g/mol. Its IUPAC name is 5-bromo-2-(4-cyclopropylphenyl)-6-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4-cyclopropylphenyl)-6-ethyl-N-methylpyrimidin-4-amine
PubChem CID79980128
Molecular FormulaC16H18BrN3
Molecular Weight332.25 g/mol
Exact Mass331.07
IUPAC Name5-bromo-2-(4-cyclopropylphenyl)-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(-c2ccc(C3CC3)cc2)nc(NC)c1Br
InChIInChI=1S/C16H18BrN3/c1-3-13-14(17)16(18-2)20-15(19-13)12-8-6-11(7-9-12)10-4-5-10/h6-10H,3-5H2,1-2H3,(H,18,19,20)
InChIKeyMOIOMXUBMBPHKV-UHFFFAOYSA-N
XLogP4.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(4-cyclopropylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 79972059
2-(4-cyclopropylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 79980915
5-bromo-6-ethyl-2-(4-ethylsulfanylphenyl)-N-methylpyrimidin-4-amine
CID 106849561
[2-(4-cyclopropylphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 79980375
5-bromo-2-(3-bromophenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 66298851
5-bromo-6-cyclopropyl-2-(4-fluorophenyl)-N-methylpyrimidin-4-amine
CID 66304168
5-bromo-6-ethyl-N-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine
CID 66295211
5-bromo-2-(4-bromophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66299387
[2-(4-cyclopropylphenyl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine
CID 79980615
5-bromo-2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine
CID 79980210
5-bromo-2-(2-cyclopropylphenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 79973238
5-bromo-N,6-diethyl-2-phenylpyrimidin-4-amine
CID 66301217

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-cyclopropylphenyl)-6-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4-cyclopropylphenyl)-6-ethyl-N-methylpyrimidin-4-amine (CID 79980128) is 5-bromo-2-(4-cyclopropylphenyl)-6-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4-cyclopropylphenyl)-6-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4-cyclopropylphenyl)-6-ethyl-N-methylpyrimidin-4-amine is CCc1nc(-c2ccc(C3CC3)cc2)nc(NC)c1Br.
What is the InChIKey of 5-bromo-2-(4-cyclopropylphenyl)-6-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is MOIOMXUBMBPHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3/c1-3-13-14(17)16(18-2)20-15(19-13)12-8-6-11(7-9-12)10-4-5-10/h6-10H,3-5H2,1-2H3,(H,18,19,20).
What are the key properties of 5-bromo-2-(4-cyclopropylphenyl)-6-ethyl-N-methylpyrimidin-4-amine?
5-bromo-2-(4-cyclopropylphenyl)-6-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 332.25 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-cyclopropylphenyl)-6-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 79980128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).