5-fluoro-4-(3-propyltriazol-4-yl)pyrimidin-2-amine

C9H11FN6 — CID 114691134

IUPAC5-fluoro-4-(3-propyltriazol-4-yl)pyrimidin-2-amine
SMILESCCCn1nncc1-c1nc(N)ncc1F
InChIInChI=1S/C9H11FN6/c1-2-3-16-7(5-13-15-16)8-6(10)4-12-9(11)14-8/h4-5H,2-3H2,1H3,(H2,11,12,14)
InChIKeyZVVOMJLUDSDSAK-UHFFFAOYSA-N
MW222.23 g/mol
LogP0.87
Rot. Bonds3

About 5-fluoro-4-(3-propyltriazol-4-yl)pyrimidin-2-amine

5-fluoro-4-(3-propyltriazol-4-yl)pyrimidin-2-amine (PubChem CID 114691134) has the molecular formula C9H11FN6 and a molecular weight of 222.23 g/mol. Its IUPAC name is 5-fluoro-4-(3-propyltriazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(3-propyltriazol-4-yl)pyrimidin-2-amine
PubChem CID114691134
Molecular FormulaC9H11FN6
Molecular Weight222.23 g/mol
Exact Mass222.10
IUPAC Name5-fluoro-4-(3-propyltriazol-4-yl)pyrimidin-2-amine
SMILESCCCn1nncc1-c1nc(N)ncc1F
InChIInChI=1S/C9H11FN6/c1-2-3-16-7(5-13-15-16)8-6(10)4-12-9(11)14-8/h4-5H,2-3H2,1H3,(H2,11,12,14)
InChIKeyZVVOMJLUDSDSAK-UHFFFAOYSA-N
XLogP0.87
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-ethyl-2-methylimidazol-4-yl)-5-fluoropyrimidin-2-amine
CID 69071277
4-(3-propyltriazol-4-yl)aniline
CID 82205210
N-methyl-3-(3-propyltriazol-4-yl)pyrazin-2-amine
CID 114691130
2-(3-propyltriazol-4-yl)pyridin-3-ol
CID 136993168
4-methyl-3-(3-propyltriazol-4-yl)pyridin-2-amine
CID 114690230
1-[3-fluoro-4-(3-propyltriazol-4-yl)phenyl]-N-methylmethanamine
CID 114689850
4-chloro-2-ethyl-5-methyl-6-(3-propyltriazol-4-yl)pyrimidine
CID 114690776
2,5-dimethyl-4-(3-propyltriazol-4-yl)-1H-pyrimidin-6-one
CID 137004350
2-chloro-5-fluoro-4-(2-propylpyrazol-3-yl)pyrimidine
CID 79078668
3-chloro-4,5-dimethyl-6-(3-propyltriazol-4-yl)pyridazine
CID 114690815
4-(5-bromo-3-methyltriazol-4-yl)-5-fluoropyrimidin-2-amine
CID 106463765
4-piperidin-1-yl-6-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine
CID 114691144

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(3-propyltriazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(3-propyltriazol-4-yl)pyrimidin-2-amine (CID 114691134) is 5-fluoro-4-(3-propyltriazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(3-propyltriazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(3-propyltriazol-4-yl)pyrimidin-2-amine is CCCn1nncc1-c1nc(N)ncc1F.
What is the InChIKey of 5-fluoro-4-(3-propyltriazol-4-yl)pyrimidin-2-amine?
The InChIKey is ZVVOMJLUDSDSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN6/c1-2-3-16-7(5-13-15-16)8-6(10)4-12-9(11)14-8/h4-5H,2-3H2,1H3,(H2,11,12,14).
What are the key properties of 5-fluoro-4-(3-propyltriazol-4-yl)pyrimidin-2-amine?
5-fluoro-4-(3-propyltriazol-4-yl)pyrimidin-2-amine has a molecular weight of 222.23 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(3-propyltriazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 114691134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).