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

C13H18N4O — CID 114282698

IUPAC2-[4,6-dimethyl-2-(2-methyl-1,3-oxazol-4-yl)pyrimidin-5-yl]-N-methylethanamine
SMILESCNCCc1c(C)nc(-c2coc(C)n2)nc1C
InChIInChI=1S/C13H18N4O/c1-8-11(5-6-14-4)9(2)16-13(15-8)12-7-18-10(3)17-12/h7,14H,5-6H2,1-4H3
InChIKeyYKAAJKPNQFXQHE-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.82
Rot. Bonds4

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

2-[4,6-dimethyl-2-(2-methyl-1,3-oxazol-4-yl)pyrimidin-5-yl]-N-methylethanamine (PubChem CID 114282698) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(2-methyl-1,3-oxazol-4-yl)pyrimidin-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(2-methyl-1,3-oxazol-4-yl)pyrimidin-5-yl]-N-methylethanamine
PubChem CID114282698
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-[4,6-dimethyl-2-(2-methyl-1,3-oxazol-4-yl)pyrimidin-5-yl]-N-methylethanamine
SMILESCNCCc1c(C)nc(-c2coc(C)n2)nc1C
InChIInChI=1S/C13H18N4O/c1-8-11(5-6-14-4)9(2)16-13(15-8)12-7-18-10(3)17-12/h7,14H,5-6H2,1-4H3
InChIKeyYKAAJKPNQFXQHE-UHFFFAOYSA-N
XLogP1.82
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(5-fluoro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
CID 79718495
2-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylethanamine
CID 62745627
N-methyl-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 130517495
2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)-N-methylethanamine
CID 62746334
2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]-N-methylethanamine
CID 62744051
3-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 104790857
2-[4,6-dimethyl-2-[(4-methylphenyl)methyl]pyrimidin-5-yl]-N-methylethanamine
CID 62745455
2-[4,6-dimethyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]-N-methylethanamine
CID 62744403
3-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 62746134
N-methyl-2-[2-(2-methylpropyl)-1,3-oxazol-4-yl]ethanamine
CID 115084221
N-[2-(4,6-dimethyl-2-pyrazin-2-ylpyrimidin-5-yl)ethyl]-2-methylpropan-2-amine
CID 62745112
N,N,2,6,8-pentamethyl-3-[2-(methylamino)ethyl]quinolin-4-amine
CID 82247605

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-(2-methyl-1,3-oxazol-4-yl)pyrimidin-5-yl]-N-methylethanamine?
The IUPAC name of 2-[4,6-dimethyl-2-(2-methyl-1,3-oxazol-4-yl)pyrimidin-5-yl]-N-methylethanamine (CID 114282698) is 2-[4,6-dimethyl-2-(2-methyl-1,3-oxazol-4-yl)pyrimidin-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4,6-dimethyl-2-(2-methyl-1,3-oxazol-4-yl)pyrimidin-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[4,6-dimethyl-2-(2-methyl-1,3-oxazol-4-yl)pyrimidin-5-yl]-N-methylethanamine is CNCCc1c(C)nc(-c2coc(C)n2)nc1C.
What is the InChIKey of 2-[4,6-dimethyl-2-(2-methyl-1,3-oxazol-4-yl)pyrimidin-5-yl]-N-methylethanamine?
The InChIKey is YKAAJKPNQFXQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-8-11(5-6-14-4)9(2)16-13(15-8)12-7-18-10(3)17-12/h7,14H,5-6H2,1-4H3.
What are the key properties of 2-[4,6-dimethyl-2-(2-methyl-1,3-oxazol-4-yl)pyrimidin-5-yl]-N-methylethanamine?
2-[4,6-dimethyl-2-(2-methyl-1,3-oxazol-4-yl)pyrimidin-5-yl]-N-methylethanamine has a molecular weight of 246.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-(2-methyl-1,3-oxazol-4-yl)pyrimidin-5-yl]-N-methylethanamine is sourced from PubChem (CID 114282698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).