N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-ethoxypyrimidin-4-amine

C12H16N4O2 — CID 86816197

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(NCc2nc(C)c(C)o2)ncn1
InChIInChI=1S/C12H16N4O2/c1-4-17-11-5-10(14-7-15-11)13-6-12-16-8(2)9(3)18-12/h5,7H,4,6H2,1-3H3,(H,13,14,15)
InChIKeyLFXAGDMASMGSFY-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.09
Rot. Bonds5

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-ethoxypyrimidin-4-amine

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-ethoxypyrimidin-4-amine (PubChem CID 86816197) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-ethoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-ethoxypyrimidin-4-amine
PubChem CID86816197
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(NCc2nc(C)c(C)o2)ncn1
InChIInChI=1S/C12H16N4O2/c1-4-17-11-5-10(14-7-15-11)13-6-12-16-8(2)9(3)18-12/h5,7H,4,6H2,1-3H3,(H,13,14,15)
InChIKeyLFXAGDMASMGSFY-UHFFFAOYSA-N
XLogP2.09
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-ethoxypyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-ethoxypyrimidin-4-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-ethoxypyrimidin-4-amine (CID 86816197) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-ethoxypyrimidin-4-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-ethoxypyrimidin-4-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-ethoxypyrimidin-4-amine is CCOc1cc(NCc2nc(C)c(C)o2)ncn1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-ethoxypyrimidin-4-amine?
The InChIKey is LFXAGDMASMGSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-4-17-11-5-10(14-7-15-11)13-6-12-16-8(2)9(3)18-12/h5,7H,4,6H2,1-3H3,(H,13,14,15).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-ethoxypyrimidin-4-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-ethoxypyrimidin-4-amine has a molecular weight of 248.29 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-ethoxypyrimidin-4-amine is sourced from PubChem (CID 86816197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).