2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine

C15H16N4O2 — CID 3233224

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
SMILESCc1noc(C)c1-c1nccc(N(C)Cc2ccco2)n1
InChIInChI=1S/C15H16N4O2/c1-10-14(11(2)21-18-10)15-16-7-6-13(17-15)19(3)9-12-5-4-8-20-12/h4-8H,9H2,1-3H3
InChIKeyPVHOVGGARBQLPO-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.98
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine (PubChem CID 3233224) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
PubChem CID3233224
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
SMILESCc1noc(C)c1-c1nccc(N(C)Cc2ccco2)n1
InChIInChI=1S/C15H16N4O2/c1-10-14(11(2)21-18-10)15-16-7-6-13(17-15)19(3)9-12-5-4-8-20-12/h4-8H,9H2,1-3H3
InChIKeyPVHOVGGARBQLPO-UHFFFAOYSA-N
XLogP2.98
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine (CID 3233224) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine is Cc1noc(C)c1-c1nccc(N(C)Cc2ccco2)n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine?
The InChIKey is PVHOVGGARBQLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10-14(11(2)21-18-10)15-16-7-6-13(17-15)19(3)9-12-5-4-8-20-12/h4-8H,9H2,1-3H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine has a molecular weight of 284.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 3233224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).