N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine

C16H16N4O — CID 3235051

IUPACN-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine
SMILESCc1noc(C)c1-c1nccc(NCc2ccccc2)n1
InChIInChI=1S/C16H16N4O/c1-11-15(12(2)21-20-11)16-17-9-8-14(19-16)18-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,17,18,19)
InChIKeyPNHZZQZYNDFIDY-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.36
Rot. Bonds4

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

N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine (PubChem CID 3235051) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine
PubChem CID3235051
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine
SMILESCc1noc(C)c1-c1nccc(NCc2ccccc2)n1
InChIInChI=1S/C16H16N4O/c1-11-15(12(2)21-20-11)16-17-9-8-14(19-16)18-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,17,18,19)
InChIKeyPNHZZQZYNDFIDY-UHFFFAOYSA-N
XLogP3.36
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine?
The IUPAC name of N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine (CID 3235051) is N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine is Cc1noc(C)c1-c1nccc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine?
The InChIKey is PNHZZQZYNDFIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-15(12(2)21-20-11)16-17-9-8-14(19-16)18-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,17,18,19).
What are the key properties of N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine?
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine has a molecular weight of 280.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 3235051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).