5-fluoro-2-(2-methylpropyl)-4-(1,2,4-triazol-1-yl)pyrimidine

C10H12FN5 — CID 123684131

IUPAC5-fluoro-2-(2-methylpropyl)-4-(1,2,4-triazol-1-yl)pyrimidine
SMILESCC(C)Cc1ncc(F)c(-n2cncn2)n1
InChIInChI=1S/C10H12FN5/c1-7(2)3-9-13-4-8(11)10(15-9)16-6-12-5-14-16/h4-7H,3H2,1-2H3
InChIKeyKVROENSBBDJNDK-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.39
Rot. Bonds3

About 5-fluoro-2-(2-methylpropyl)-4-(1,2,4-triazol-1-yl)pyrimidine

5-fluoro-2-(2-methylpropyl)-4-(1,2,4-triazol-1-yl)pyrimidine (PubChem CID 123684131) has the molecular formula C10H12FN5 and a molecular weight of 221.24 g/mol. Its IUPAC name is 5-fluoro-2-(2-methylpropyl)-4-(1,2,4-triazol-1-yl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-(2-methylpropyl)-4-(1,2,4-triazol-1-yl)pyrimidine
PubChem CID123684131
Molecular FormulaC10H12FN5
Molecular Weight221.24 g/mol
Exact Mass221.11
IUPAC Name5-fluoro-2-(2-methylpropyl)-4-(1,2,4-triazol-1-yl)pyrimidine
SMILESCC(C)Cc1ncc(F)c(-n2cncn2)n1
InChIInChI=1S/C10H12FN5/c1-7(2)3-9-13-4-8(11)10(15-9)16-6-12-5-14-16/h4-7H,3H2,1-2H3
InChIKeyKVROENSBBDJNDK-UHFFFAOYSA-N
XLogP1.39
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylheptan-4-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167513
5-(chloromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)pyrimidine
CID 130484776
[2-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-5-yl]methanol
CID 130484667
2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidine
CID 58333445
2-methyl-1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 56756936
1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]propan-2-ol
CID 117315539
2-(2,2,3,4,4,4-hexafluorobutoxy)-5-methoxy-4-(1,2,4-triazol-1-yl)pyrimidine
CID 87548021
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-(1,2,4-triazol-1-yl)aniline
CID 83119087
N-(3-methylbutyl)-4-(1,2,4-triazol-1-yl)aniline
CID 54862631
N-[1-(4-chlorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61166360
1-[4-methyl-2-(2-methylpropyl)pyrimidin-5-yl]ethanamine
CID 62770485
1-[2-fluoro-6-(1,2,4-triazol-1-yl)phenyl]ethanol
CID 43506235

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methylpropyl)-4-(1,2,4-triazol-1-yl)pyrimidine?
The IUPAC name of 5-fluoro-2-(2-methylpropyl)-4-(1,2,4-triazol-1-yl)pyrimidine (CID 123684131) is 5-fluoro-2-(2-methylpropyl)-4-(1,2,4-triazol-1-yl)pyrimidine.
What is the SMILES notation for 5-fluoro-2-(2-methylpropyl)-4-(1,2,4-triazol-1-yl)pyrimidine?
The canonical SMILES for 5-fluoro-2-(2-methylpropyl)-4-(1,2,4-triazol-1-yl)pyrimidine is CC(C)Cc1ncc(F)c(-n2cncn2)n1.
What is the InChIKey of 5-fluoro-2-(2-methylpropyl)-4-(1,2,4-triazol-1-yl)pyrimidine?
The InChIKey is KVROENSBBDJNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5/c1-7(2)3-9-13-4-8(11)10(15-9)16-6-12-5-14-16/h4-7H,3H2,1-2H3.
What are the key properties of 5-fluoro-2-(2-methylpropyl)-4-(1,2,4-triazol-1-yl)pyrimidine?
5-fluoro-2-(2-methylpropyl)-4-(1,2,4-triazol-1-yl)pyrimidine has a molecular weight of 221.24 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methylpropyl)-4-(1,2,4-triazol-1-yl)pyrimidine is sourced from PubChem (CID 123684131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).