6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C15H15N5O — CID 3233314

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCc1noc(C)c1-c1cc(NCc2cccnc2)ncn1
InChIInChI=1S/C15H15N5O/c1-10-15(11(2)21-20-10)13-6-14(19-9-18-13)17-8-12-4-3-5-16-7-12/h3-7,9H,8H2,1-2H3,(H,17,18,19)
InChIKeyDRGCVCGRQPMSQR-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.76
Rot. Bonds4

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 3233314) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID3233314
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCc1noc(C)c1-c1cc(NCc2cccnc2)ncn1
InChIInChI=1S/C15H15N5O/c1-10-15(11(2)21-20-10)13-6-14(19-9-18-13)17-8-12-4-3-5-16-7-12/h3-7,9H,8H2,1-2H3,(H,17,18,19)
InChIKeyDRGCVCGRQPMSQR-UHFFFAOYSA-N
XLogP2.76
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 3233314) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is Cc1noc(C)c1-c1cc(NCc2cccnc2)ncn1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is DRGCVCGRQPMSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10-15(11(2)21-20-10)13-6-14(19-9-18-13)17-8-12-4-3-5-16-7-12/h3-7,9H,8H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 281.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 3233314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).