4-methoxy-6-[(E)-2-phenylethenyl]pyrimidin-2-amine

C13H13N3O — CID 13285567

IUPAC4-methoxy-6-[(E)-2-phenylethenyl]pyrimidin-2-amine
SMILESCOc1cc(/C=C/c2ccccc2)nc(N)n1
InChIInChI=1S/C13H13N3O/c1-17-12-9-11(15-13(14)16-12)8-7-10-5-3-2-4-6-10/h2-9H,1H3,(H2,14,15,16)/b8-7+
InChIKeyAHCAIHMKRAQOER-BQYQJAHWSA-N
MW227.27 g/mol
LogP2.24
Rot. Bonds3

About 4-methoxy-6-[(E)-2-phenylethenyl]pyrimidin-2-amine

4-methoxy-6-[(E)-2-phenylethenyl]pyrimidin-2-amine (PubChem CID 13285567) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-methoxy-6-[(E)-2-phenylethenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-[(E)-2-phenylethenyl]pyrimidin-2-amine
PubChem CID13285567
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name4-methoxy-6-[(E)-2-phenylethenyl]pyrimidin-2-amine
SMILESCOc1cc(/C=C/c2ccccc2)nc(N)n1
InChIInChI=1S/C13H13N3O/c1-17-12-9-11(15-13(14)16-12)8-7-10-5-3-2-4-6-10/h2-9H,1H3,(H2,14,15,16)/b8-7+
InChIKeyAHCAIHMKRAQOER-BQYQJAHWSA-N
XLogP2.24
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[(E)-2-phenylethenyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-[(E)-2-phenylethenyl]pyrimidin-2-amine (CID 13285567) is 4-methoxy-6-[(E)-2-phenylethenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-[(E)-2-phenylethenyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-[(E)-2-phenylethenyl]pyrimidin-2-amine is COc1cc(/C=C/c2ccccc2)nc(N)n1.
What is the InChIKey of 4-methoxy-6-[(E)-2-phenylethenyl]pyrimidin-2-amine?
The InChIKey is AHCAIHMKRAQOER-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H13N3O/c1-17-12-9-11(15-13(14)16-12)8-7-10-5-3-2-4-6-10/h2-9H,1H3,(H2,14,15,16)/b8-7+.
What are the key properties of 4-methoxy-6-[(E)-2-phenylethenyl]pyrimidin-2-amine?
4-methoxy-6-[(E)-2-phenylethenyl]pyrimidin-2-amine has a molecular weight of 227.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[(E)-2-phenylethenyl]pyrimidin-2-amine is sourced from PubChem (CID 13285567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).