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

C16H16N4O2 — CID 133464678

IUPAC6-ethoxy-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine
SMILESCCOc1cc(NCc2coc(-c3ccccc3)n2)ncn1
InChIInChI=1S/C16H16N4O2/c1-2-21-15-8-14(18-11-19-15)17-9-13-10-22-16(20-13)12-6-4-3-5-7-12/h3-8,10-11H,2,9H2,1H3,(H,17,18,19)
InChIKeyJWWOPLKOVSOCML-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.14
Rot. Bonds6

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

6-ethoxy-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 133464678) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 6-ethoxy-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID133464678
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name6-ethoxy-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine
SMILESCCOc1cc(NCc2coc(-c3ccccc3)n2)ncn1
InChIInChI=1S/C16H16N4O2/c1-2-21-15-8-14(18-11-19-15)17-9-13-10-22-16(20-13)12-6-4-3-5-7-12/h3-8,10-11H,2,9H2,1H3,(H,17,18,19)
InChIKeyJWWOPLKOVSOCML-UHFFFAOYSA-N
XLogP3.14
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine (CID 133464678) is 6-ethoxy-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine is CCOc1cc(NCc2coc(-c3ccccc3)n2)ncn1.
What is the InChIKey of 6-ethoxy-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is JWWOPLKOVSOCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-2-21-15-8-14(18-11-19-15)17-9-13-10-22-16(20-13)12-6-4-3-5-7-12/h3-8,10-11H,2,9H2,1H3,(H,17,18,19).
What are the key properties of 6-ethoxy-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine?
6-ethoxy-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 296.33 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 133464678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).