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

C13H13N3 — CID 13401655

IUPAC4-methyl-6-[(E)-2-phenylethenyl]pyrimidin-2-amine
SMILESCc1cc(/C=C/c2ccccc2)nc(N)n1
InChIInChI=1S/C13H13N3/c1-10-9-12(16-13(14)15-10)8-7-11-5-3-2-4-6-11/h2-9H,1H3,(H2,14,15,16)/b8-7+
InChIKeyIUMJONUZMSHVTP-BQYQJAHWSA-N
MW211.27 g/mol
LogP2.54
Rot. Bonds2

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

4-methyl-6-[(E)-2-phenylethenyl]pyrimidin-2-amine (PubChem CID 13401655) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 4-methyl-6-[(E)-2-phenylethenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[(E)-2-phenylethenyl]pyrimidin-2-amine
PubChem CID13401655
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name4-methyl-6-[(E)-2-phenylethenyl]pyrimidin-2-amine
SMILESCc1cc(/C=C/c2ccccc2)nc(N)n1
InChIInChI=1S/C13H13N3/c1-10-9-12(16-13(14)15-10)8-7-11-5-3-2-4-6-11/h2-9H,1H3,(H2,14,15,16)/b8-7+
InChIKeyIUMJONUZMSHVTP-BQYQJAHWSA-N
XLogP2.54
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(E)-2-phenylethenyl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[(E)-2-phenylethenyl]pyrimidin-2-amine (CID 13401655) is 4-methyl-6-[(E)-2-phenylethenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[(E)-2-phenylethenyl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[(E)-2-phenylethenyl]pyrimidin-2-amine is Cc1cc(/C=C/c2ccccc2)nc(N)n1.
What is the InChIKey of 4-methyl-6-[(E)-2-phenylethenyl]pyrimidin-2-amine?
The InChIKey is IUMJONUZMSHVTP-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H13N3/c1-10-9-12(16-13(14)15-10)8-7-11-5-3-2-4-6-11/h2-9H,1H3,(H2,14,15,16)/b8-7+.
What are the key properties of 4-methyl-6-[(E)-2-phenylethenyl]pyrimidin-2-amine?
4-methyl-6-[(E)-2-phenylethenyl]pyrimidin-2-amine has a molecular weight of 211.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(E)-2-phenylethenyl]pyrimidin-2-amine is sourced from PubChem (CID 13401655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).