2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine

C10H11FN4O — CID 66000408

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1nc(-c2c(C)noc2C)nc(N)c1F
InChIInChI=1S/C10H11FN4O/c1-4-7(6(3)16-15-4)10-13-5(2)8(11)9(12)14-10/h1-3H3,(H2,12,13,14)
InChIKeyOAQNKWIKYPPKPY-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.78
Rot. Bonds1

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine

2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine (PubChem CID 66000408) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine
PubChem CID66000408
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1nc(-c2c(C)noc2C)nc(N)c1F
InChIInChI=1S/C10H11FN4O/c1-4-7(6(3)16-15-4)10-13-5(2)8(11)9(12)14-10/h1-3H3,(H2,12,13,14)
InChIKeyOAQNKWIKYPPKPY-UHFFFAOYSA-N
XLogP1.78
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine (CID 66000408) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine is Cc1nc(-c2c(C)noc2C)nc(N)c1F.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine?
The InChIKey is OAQNKWIKYPPKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O/c1-4-7(6(3)16-15-4)10-13-5(2)8(11)9(12)14-10/h1-3H3,(H2,12,13,14).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine has a molecular weight of 222.22 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 66000408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).