5-bromo-6-cyclopropyl-2-(4-fluorophenyl)-N-methylpyrimidin-4-amine

C14H13BrFN3 — CID 66304168

IUPAC5-bromo-6-cyclopropyl-2-(4-fluorophenyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(F)cc2)nc(C2CC2)c1Br
InChIInChI=1S/C14H13BrFN3/c1-17-14-11(15)12(8-2-3-8)18-13(19-14)9-4-6-10(16)7-5-9/h4-8H,2-3H2,1H3,(H,17,18,19)
InChIKeyRLXWBDKNGYIBIQ-UHFFFAOYSA-N
MW322.18 g/mol
LogP3.96
Rot. Bonds3

About 5-bromo-6-cyclopropyl-2-(4-fluorophenyl)-N-methylpyrimidin-4-amine

5-bromo-6-cyclopropyl-2-(4-fluorophenyl)-N-methylpyrimidin-4-amine (PubChem CID 66304168) has the molecular formula C14H13BrFN3 and a molecular weight of 322.18 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-2-(4-fluorophenyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-(4-fluorophenyl)-N-methylpyrimidin-4-amine
PubChem CID66304168
Molecular FormulaC14H13BrFN3
Molecular Weight322.18 g/mol
Exact Mass321.03
IUPAC Name5-bromo-6-cyclopropyl-2-(4-fluorophenyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(F)cc2)nc(C2CC2)c1Br
InChIInChI=1S/C14H13BrFN3/c1-17-14-11(15)12(8-2-3-8)18-13(19-14)9-4-6-10(16)7-5-9/h4-8H,2-3H2,1H3,(H,17,18,19)
InChIKeyRLXWBDKNGYIBIQ-UHFFFAOYSA-N
XLogP3.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 114331016
2-(1,3-benzodioxol-5-yl)-5-bromo-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 66297835
5-bromo-6-cyclopropyl-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 66302950
5-[5-bromo-4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol
CID 66295717
5-bromo-6-cyclopropyl-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 66301926
6-cyclopropyl-5-iodo-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine
CID 66302773
5-bromo-6-cyclopropyl-N-methyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 66304583
5-bromo-2-(3-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 115381230
5-bromo-6-cyclopropyl-N-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 66296102
5-bromo-2-(4-cyclopropylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 79972059
5-bromo-6-cyclopropyl-N-ethyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 66302548
5-bromo-2-(4-cyclopropylphenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 79980128

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-2-(4-fluorophenyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-2-(4-fluorophenyl)-N-methylpyrimidin-4-amine (CID 66304168) is 5-bromo-6-cyclopropyl-2-(4-fluorophenyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-(4-fluorophenyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-(4-fluorophenyl)-N-methylpyrimidin-4-amine is CNc1nc(-c2ccc(F)cc2)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-(4-fluorophenyl)-N-methylpyrimidin-4-amine?
The InChIKey is RLXWBDKNGYIBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3/c1-17-14-11(15)12(8-2-3-8)18-13(19-14)9-4-6-10(16)7-5-9/h4-8H,2-3H2,1H3,(H,17,18,19).
What are the key properties of 5-bromo-6-cyclopropyl-2-(4-fluorophenyl)-N-methylpyrimidin-4-amine?
5-bromo-6-cyclopropyl-2-(4-fluorophenyl)-N-methylpyrimidin-4-amine has a molecular weight of 322.18 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-2-(4-fluorophenyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66304168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).