6-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine

C11H14N4O2 — CID 86797758

IUPAC6-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCOc1cc(NCc2ncc(C)o2)ncn1
InChIInChI=1S/C11H14N4O2/c1-3-16-10-4-9(14-7-15-10)12-6-11-13-5-8(2)17-11/h4-5,7H,3,6H2,1-2H3,(H,12,14,15)
InChIKeyVPAWGJKMZBRLQK-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.78
Rot. Bonds5

About 6-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine

6-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 86797758) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 6-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID86797758
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name6-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCOc1cc(NCc2ncc(C)o2)ncn1
InChIInChI=1S/C11H14N4O2/c1-3-16-10-4-9(14-7-15-10)12-6-11-13-5-8(2)17-11/h4-5,7H,3,6H2,1-2H3,(H,12,14,15)
InChIKeyVPAWGJKMZBRLQK-UHFFFAOYSA-N
XLogP1.78
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine (CID 86797758) is 6-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine is CCOc1cc(NCc2ncc(C)o2)ncn1.
What is the InChIKey of 6-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is VPAWGJKMZBRLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-3-16-10-4-9(14-7-15-10)12-6-11-13-5-8(2)17-11/h4-5,7H,3,6H2,1-2H3,(H,12,14,15).
What are the key properties of 6-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
6-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 234.26 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 86797758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).