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

C11H14N4O — CID 136575163

IUPAC4,6-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCc2nocc2C)n1
InChIInChI=1S/C11H14N4O/c1-7-6-16-15-10(7)5-12-11-13-8(2)4-9(3)14-11/h4,6H,5H2,1-3H3,(H,12,13,14)
InChIKeyJKJOKGCFSHIHOY-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.00
Rot. Bonds3

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

4,6-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine (PubChem CID 136575163) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine
PubChem CID136575163
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name4,6-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCc2nocc2C)n1
InChIInChI=1S/C11H14N4O/c1-7-6-16-15-10(7)5-12-11-13-8(2)4-9(3)14-11/h4,6H,5H2,1-3H3,(H,12,13,14)
InChIKeyJKJOKGCFSHIHOY-UHFFFAOYSA-N
XLogP2.00
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine (CID 136575163) is 4,6-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine is Cc1cc(C)nc(NCc2nocc2C)n1.
What is the InChIKey of 4,6-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine?
The InChIKey is JKJOKGCFSHIHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7-6-16-15-10(7)5-12-11-13-8(2)4-9(3)14-11/h4,6H,5H2,1-3H3,(H,12,13,14).
What are the key properties of 4,6-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine?
4,6-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine has a molecular weight of 218.26 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 136575163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).