4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine

C13H14F3N5 — CID 154580620

IUPAC4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
SMILESCc1nc(N2CC(Cn3ccnc3)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H14F3N5/c1-9-18-11(13(14,15)16)4-12(19-9)21-6-10(7-21)5-20-3-2-17-8-20/h2-4,8,10H,5-7H2,1H3
InChIKeyQQUMRZLJKKWVCZ-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.14
Rot. Bonds3

About 4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine

4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine (PubChem CID 154580620) has the molecular formula C13H14F3N5 and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
PubChem CID154580620
Molecular FormulaC13H14F3N5
Molecular Weight297.28 g/mol
Exact Mass297.12
IUPAC Name4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
SMILESCc1nc(N2CC(Cn3ccnc3)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H14F3N5/c1-9-18-11(13(14,15)16)4-12(19-9)21-6-10(7-21)5-20-3-2-17-8-20/h2-4,8,10H,5-7H2,1H3
InChIKeyQQUMRZLJKKWVCZ-UHFFFAOYSA-N
XLogP2.14
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-6-[3-(imidazol-1-ylmethyl)azetidin-1-yl]pyrimidine
CID 154580669
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride
CID 166606228
1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
CID 102549339
2-methyl-4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 165435044
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
CID 155976481
2-methyl-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 171326651
6-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-(pyridin-4-ylmethyl)pyridazin-3-one
CID 166605343
4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidin-2-amine
CID 45250223
N,1-dimethyl-N-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 172881167
2-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171993086
N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 171993956
2-chloro-4-imidazol-1-yl-6-(trifluoromethyl)pyrimidine
CID 114562950

Frequently Asked Questions

What is the IUPAC name of 4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine (CID 154580620) is 4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine is Cc1nc(N2CC(Cn3ccnc3)C2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is QQUMRZLJKKWVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5/c1-9-18-11(13(14,15)16)4-12(19-9)21-6-10(7-21)5-20-3-2-17-8-20/h2-4,8,10H,5-7H2,1H3.
What are the key properties of 4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine?
4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 297.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 154580620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).