5-(3-bromo-2-cyclopropyl-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine

C14H11BrF3N3 — CID 122455871

IUPAC5-(3-bromo-2-cyclopropyl-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine
SMILESCc1cc(-c2cnc(C(F)(F)F)nc2)c(Br)c(C2CC2)n1
InChIInChI=1S/C14H11BrF3N3/c1-7-4-10(11(15)12(21-7)8-2-3-8)9-5-19-13(20-6-9)14(16,17)18/h4-6,8H,2-3H2,1H3
InChIKeyZGIWLRZXKWWYDH-UHFFFAOYSA-N
MW358.16 g/mol
LogP4.51
Rot. Bonds2

About 5-(3-bromo-2-cyclopropyl-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine

5-(3-bromo-2-cyclopropyl-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 122455871) has the molecular formula C14H11BrF3N3 and a molecular weight of 358.16 g/mol. Its IUPAC name is 5-(3-bromo-2-cyclopropyl-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-(3-bromo-2-cyclopropyl-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine
PubChem CID122455871
Molecular FormulaC14H11BrF3N3
Molecular Weight358.16 g/mol
Exact Mass357.01
IUPAC Name5-(3-bromo-2-cyclopropyl-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine
SMILESCc1cc(-c2cnc(C(F)(F)F)nc2)c(Br)c(C2CC2)n1
InChIInChI=1S/C14H11BrF3N3/c1-7-4-10(11(15)12(21-7)8-2-3-8)9-5-19-13(20-6-9)14(16,17)18/h4-6,8H,2-3H2,1H3
InChIKeyZGIWLRZXKWWYDH-UHFFFAOYSA-N
XLogP4.51
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.16
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Bromophenyl)-7-methylpyrido[2,3-d]pyrimidine
CID 44435028
[4-(4-Bromo-phenyl)-5-methyl-pyrimidin-2-yl]-dicyclopropylmethyl-propyl-amine
CID 19063905
2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 23650197
2-(4-bromophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 57393997
2-Phenyl-4-(trifluoromethyl)pyrimidine
CID 2795672
(4-Bromo-phenyl)-[2-isopropyl-7-(3-trifluoromethyl-pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]-amine
CID 24783657
4-(4-Bromophenyl)-2-methylpyrimidine
CID 2819637
4-Cyclopropyl-5-(pyridin-4-yl)pyrimidin-2-amine
CID 25915085
4-(3-Bromophenyl)-6-pyridin-3-ylpyrimidine
CID 162644727
4-(4-Bromophenyl)-6-pyridin-3-ylpyrimidin-2-amine
CID 162644833
4-(3-Bromophenyl)-6-pyridin-3-ylpyrimidin-2-amine
CID 162665489
2-Methyl-4-(pyridin-4-yl)pyrimidine
CID 12450580

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-2-cyclopropyl-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-(3-bromo-2-cyclopropyl-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine (CID 122455871) is 5-(3-bromo-2-cyclopropyl-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-(3-bromo-2-cyclopropyl-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-(3-bromo-2-cyclopropyl-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine is Cc1cc(-c2cnc(C(F)(F)F)nc2)c(Br)c(C2CC2)n1.
What is the InChIKey of 5-(3-bromo-2-cyclopropyl-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is ZGIWLRZXKWWYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N3/c1-7-4-10(11(15)12(21-7)8-2-3-8)9-5-19-13(20-6-9)14(16,17)18/h4-6,8H,2-3H2,1H3.
What are the key properties of 5-(3-bromo-2-cyclopropyl-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine?
5-(3-bromo-2-cyclopropyl-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 358.16 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-2-cyclopropyl-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 122455871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).