5-bromo-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidin-4-amine

C14H13BrFN3 — CID 66301705

IUPAC5-bromo-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidin-4-amine
SMILESNc1nc(Cc2ccc(F)cc2)nc(C2CC2)c1Br
InChIInChI=1S/C14H13BrFN3/c15-12-13(9-3-4-9)18-11(19-14(12)17)7-8-1-5-10(16)6-2-8/h1-2,5-6,9H,3-4,7H2,(H2,17,18,19)
InChIKeyQOTCNNKNCMEGIC-UHFFFAOYSA-N
MW322.18 g/mol
LogP3.43
Rot. Bonds3

About 5-bromo-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidin-4-amine

5-bromo-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidin-4-amine (PubChem CID 66301705) 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)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidin-4-amine
PubChem CID66301705
Molecular FormulaC14H13BrFN3
Molecular Weight322.18 g/mol
Exact Mass321.03
IUPAC Name5-bromo-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidin-4-amine
SMILESNc1nc(Cc2ccc(F)cc2)nc(C2CC2)c1Br
InChIInChI=1S/C14H13BrFN3/c15-12-13(9-3-4-9)18-11(19-14(12)17)7-8-1-5-10(16)6-2-8/h1-2,5-6,9H,3-4,7H2,(H2,17,18,19)
InChIKeyQOTCNNKNCMEGIC-UHFFFAOYSA-N
XLogP3.43
TPSA51.80 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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-amine
CID 66303346
5-bromo-4-chloro-2-[(4-chlorophenyl)methyl]-6-cyclopropylpyrimidine
CID 66293927
5-bromo-2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine
CID 66293928
5-bromo-6-cyclopropyl-2-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 66302529
4-chloro-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidine
CID 63355441
5-bromo-4-chloro-6-cyclopropyl-2-(pyridin-4-ylmethyl)pyrimidine
CID 66294333
6-cyclopropyl-5-iodo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 66302352
5-bromo-6-cyclopropyl-2-(phenoxymethyl)pyrimidin-4-amine
CID 66303546
5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopropylpyrimidin-4-amine
CID 107281472
5-bromo-6-methyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 66307241
2-[(4-bromophenyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine
CID 66000765
5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopentylpyrimidin-4-amine
CID 107281489

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidin-4-amine (CID 66301705) is 5-bromo-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidin-4-amine is Nc1nc(Cc2ccc(F)cc2)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidin-4-amine?
The InChIKey is QOTCNNKNCMEGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3/c15-12-13(9-3-4-9)18-11(19-14(12)17)7-8-1-5-10(16)6-2-8/h1-2,5-6,9H,3-4,7H2,(H2,17,18,19).
What are the key properties of 5-bromo-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidin-4-amine?
5-bromo-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidin-4-amine has a molecular weight of 322.18 g/mol, XLogP of 3.43, 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)methyl]pyrimidin-4-amine is sourced from PubChem (CID 66301705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).