2-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine

C8H9FN6 — CID 164645351

IUPAC2-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine
SMILESCn1cc(CNc2ccnc(F)n2)nn1
InChIInChI=1S/C8H9FN6/c1-15-5-6(13-14-15)4-11-7-2-3-10-8(9)12-7/h2-3,5H,4H2,1H3,(H,10,11,12)
InChIKeyZMGLPDPDOLUPED-UHFFFAOYSA-N
MW208.20 g/mol
LogP0.36
Rot. Bonds3

About 2-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine

2-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 164645351) has the molecular formula C8H9FN6 and a molecular weight of 208.20 g/mol. Its IUPAC name is 2-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID164645351
Molecular FormulaC8H9FN6
Molecular Weight208.20 g/mol
Exact Mass208.09
IUPAC Name2-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine
SMILESCn1cc(CNc2ccnc(F)n2)nn1
InChIInChI=1S/C8H9FN6/c1-15-5-6(13-14-15)4-11-7-2-3-10-8(9)12-7/h2-3,5H,4H2,1H3,(H,10,11,12)
InChIKeyZMGLPDPDOLUPED-UHFFFAOYSA-N
XLogP0.36
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine (CID 164645351) is 2-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine is Cn1cc(CNc2ccnc(F)n2)nn1.
What is the InChIKey of 2-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is ZMGLPDPDOLUPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN6/c1-15-5-6(13-14-15)4-11-7-2-3-10-8(9)12-7/h2-3,5H,4H2,1H3,(H,10,11,12).
What are the key properties of 2-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine?
2-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 208.20 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 164645351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).