5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-dimethylpyrimidin-2-amine

C14H14N4O2 — CID 24780658

IUPAC5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-dimethylpyrimidin-2-amine
SMILESCOc1ccc2nc(-c3cnc(N(C)C)nc3)oc2c1
InChIInChI=1S/C14H14N4O2/c1-18(2)14-15-7-9(8-16-14)13-17-11-5-4-10(19-3)6-12(11)20-13/h4-8H,1-3H3
InChIKeySBXAFLQAEBAKSF-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.36
Rot. Bonds3

About 5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-dimethylpyrimidin-2-amine

5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-dimethylpyrimidin-2-amine (PubChem CID 24780658) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-dimethylpyrimidin-2-amine
PubChem CID24780658
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-dimethylpyrimidin-2-amine
SMILESCOc1ccc2nc(-c3cnc(N(C)C)nc3)oc2c1
InChIInChI=1S/C14H14N4O2/c1-18(2)14-15-7-9(8-16-14)13-17-11-5-4-10(19-3)6-12(11)20-13/h4-8H,1-3H3
InChIKeySBXAFLQAEBAKSF-UHFFFAOYSA-N
XLogP2.36
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-dimethylpyrimidin-2-amine (CID 24780658) is 5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-dimethylpyrimidin-2-amine is COc1ccc2nc(-c3cnc(N(C)C)nc3)oc2c1.
What is the InChIKey of 5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-dimethylpyrimidin-2-amine?
The InChIKey is SBXAFLQAEBAKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-18(2)14-15-7-9(8-16-14)13-17-11-5-4-10(19-3)6-12(11)20-13/h4-8H,1-3H3.
What are the key properties of 5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-dimethylpyrimidin-2-amine?
5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-dimethylpyrimidin-2-amine has a molecular weight of 270.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 24780658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).