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

C12H16N4O — CID 62201927

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(N)nc(-c2c(C)noc2C)n1
InChIInChI=1S/C12H16N4O/c1-4-5-9-6-10(13)15-12(14-9)11-7(2)16-17-8(11)3/h6H,4-5H2,1-3H3,(H2,13,14,15)
InChIKeyRHUFYMHSNJYULH-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.28
Rot. Bonds3

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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propylpyrimidin-4-amine (PubChem CID 62201927) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propylpyrimidin-4-amine
PubChem CID62201927
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(N)nc(-c2c(C)noc2C)n1
InChIInChI=1S/C12H16N4O/c1-4-5-9-6-10(13)15-12(14-9)11-7(2)16-17-8(11)3/h6H,4-5H2,1-3H3,(H2,13,14,15)
InChIKeyRHUFYMHSNJYULH-UHFFFAOYSA-N
XLogP2.28
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.28
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)-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propylpyrimidin-4-amine (CID 62201927) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propylpyrimidin-4-amine is CCCc1cc(N)nc(-c2c(C)noc2C)n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propylpyrimidin-4-amine?
The InChIKey is RHUFYMHSNJYULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-4-5-9-6-10(13)15-12(14-9)11-7(2)16-17-8(11)3/h6H,4-5H2,1-3H3,(H2,13,14,15).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propylpyrimidin-4-amine?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propylpyrimidin-4-amine has a molecular weight of 232.29 g/mol, XLogP of 2.28, 3 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)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 62201927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).