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

C8H9FN6 — CID 131140757

IUPAC6-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine
SMILESCn1cc(CNc2cc(F)ncn2)nn1
InChIInChI=1S/C8H9FN6/c1-15-4-6(13-14-15)3-10-8-2-7(9)11-5-12-8/h2,4-5H,3H2,1H3,(H,10,11,12)
InChIKeyCUVWNQAKKCJNEN-UHFFFAOYSA-N
MW208.20 g/mol
LogP0.36
Rot. Bonds3

About 6-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine

6-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 131140757) has the molecular formula C8H9FN6 and a molecular weight of 208.20 g/mol. Its IUPAC name is 6-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID131140757
Molecular FormulaC8H9FN6
Molecular Weight208.20 g/mol
Exact Mass208.09
IUPAC Name6-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine
SMILESCn1cc(CNc2cc(F)ncn2)nn1
InChIInChI=1S/C8H9FN6/c1-15-4-6(13-14-15)3-10-8-2-7(9)11-5-12-8/h2,4-5H,3H2,1H3,(H,10,11,12)
InChIKeyCUVWNQAKKCJNEN-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 6-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine (CID 131140757) is 6-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine is Cn1cc(CNc2cc(F)ncn2)nn1.
What is the InChIKey of 6-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is CUVWNQAKKCJNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN6/c1-15-4-6(13-14-15)3-10-8-2-7(9)11-5-12-8/h2,4-5H,3H2,1H3,(H,10,11,12).
What are the key properties of 6-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine?
6-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 6-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 131140757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).