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

C12H11N3 — CID 46911068

IUPAC4-[(E)-2-phenylethenyl]pyrimidin-2-amine
SMILESNc1nccc(/C=C/c2ccccc2)n1
InChIInChI=1S/C12H11N3/c13-12-14-9-8-11(15-12)7-6-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)/b7-6+
InChIKeyLNUXNUNUGIHCPA-VOTSOKGWSA-N
MW197.24 g/mol
LogP2.23
Rot. Bonds2

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

4-[(E)-2-phenylethenyl]pyrimidin-2-amine (PubChem CID 46911068) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-[(E)-2-phenylethenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(E)-2-phenylethenyl]pyrimidin-2-amine
PubChem CID46911068
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name4-[(E)-2-phenylethenyl]pyrimidin-2-amine
SMILESNc1nccc(/C=C/c2ccccc2)n1
InChIInChI=1S/C12H11N3/c13-12-14-9-8-11(15-12)7-6-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)/b7-6+
InChIKeyLNUXNUNUGIHCPA-VOTSOKGWSA-N
XLogP2.23
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Quinazoline
CID 9210
4-Aminoquinazoline
CID 84759
2-(Benzylamino)pyridine
CID 23362
Amprolium
CID 73341
Msx-122
CID 11687907
4-Phenylpyrimidine
CID 18923
4,6-Diphenylpyrimidin-2-amine
CID 619024
6-Aminoquinazoline
CID 589288
2-Amino-4-phenylpyrimidine
CID 598777
5-Phenyl-2,4-pyrimidinediamine
CID 134761
Amprolium ion
CID 2178
4-Iodo-6-phenylpyrimidine
CID 817368

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-phenylethenyl]pyrimidin-2-amine?
The IUPAC name of 4-[(E)-2-phenylethenyl]pyrimidin-2-amine (CID 46911068) is 4-[(E)-2-phenylethenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[(E)-2-phenylethenyl]pyrimidin-2-amine?
The canonical SMILES for 4-[(E)-2-phenylethenyl]pyrimidin-2-amine is Nc1nccc(/C=C/c2ccccc2)n1.
What is the InChIKey of 4-[(E)-2-phenylethenyl]pyrimidin-2-amine?
The InChIKey is LNUXNUNUGIHCPA-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H11N3/c13-12-14-9-8-11(15-12)7-6-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)/b7-6+.
What are the key properties of 4-[(E)-2-phenylethenyl]pyrimidin-2-amine?
4-[(E)-2-phenylethenyl]pyrimidin-2-amine has a molecular weight of 197.24 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-phenylethenyl]pyrimidin-2-amine is sourced from PubChem (CID 46911068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).