2-phenyl-N-prop-2-enyl-6-pyridin-2-ylpyrimidin-4-amine

C18H16N4 — CID 4533537

IUPAC2-phenyl-N-prop-2-enyl-6-pyridin-2-ylpyrimidin-4-amine
SMILESC=CCNc1cc(-c2ccccn2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H16N4/c1-2-11-20-17-13-16(15-10-6-7-12-19-15)21-18(22-17)14-8-4-3-5-9-14/h2-10,12-13H,1,11H2,(H,20,21,22)
InChIKeyRPGKKYJSHYXHKH-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.80
Rot. Bonds5

About 2-phenyl-N-prop-2-enyl-6-pyridin-2-ylpyrimidin-4-amine

2-phenyl-N-prop-2-enyl-6-pyridin-2-ylpyrimidin-4-amine (PubChem CID 4533537) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-phenyl-N-prop-2-enyl-6-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-phenyl-N-prop-2-enyl-6-pyridin-2-ylpyrimidin-4-amine
PubChem CID4533537
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name2-phenyl-N-prop-2-enyl-6-pyridin-2-ylpyrimidin-4-amine
SMILESC=CCNc1cc(-c2ccccn2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H16N4/c1-2-11-20-17-13-16(15-10-6-7-12-19-15)21-18(22-17)14-8-4-3-5-9-14/h2-10,12-13H,1,11H2,(H,20,21,22)
InChIKeyRPGKKYJSHYXHKH-UHFFFAOYSA-N
XLogP3.80
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-N-prop-2-enyl-6-pyridin-2-ylpyrimidine-2,4-diamine
CID 130201916
2-phenyl-6-pyridin-2-yl-N-pyrimidin-2-ylpyrimidin-4-amine
CID 3411544
4-N-tert-butyl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879638
2-phenyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112879634
6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenyl-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879637
2,4-diphenyl-6-pyridin-2-ylpyrimidine
CID 126746872
4-N-(4-fluorophenyl)-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879656
4-N-butan-2-yl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879574
N-(2-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine
CID 4050048
2,6-diphenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 59340687
N,2-diphenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112852023
2-phenyl-6-[[(R)-phenylsulfinyl]methyl]-N-prop-2-enylpyrimidin-4-amine
CID 11864206

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-prop-2-enyl-6-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 2-phenyl-N-prop-2-enyl-6-pyridin-2-ylpyrimidin-4-amine (CID 4533537) is 2-phenyl-N-prop-2-enyl-6-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-phenyl-N-prop-2-enyl-6-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-phenyl-N-prop-2-enyl-6-pyridin-2-ylpyrimidin-4-amine is C=CCNc1cc(-c2ccccn2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-prop-2-enyl-6-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is RPGKKYJSHYXHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-2-11-20-17-13-16(15-10-6-7-12-19-15)21-18(22-17)14-8-4-3-5-9-14/h2-10,12-13H,1,11H2,(H,20,21,22).
What are the key properties of 2-phenyl-N-prop-2-enyl-6-pyridin-2-ylpyrimidin-4-amine?
2-phenyl-N-prop-2-enyl-6-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 288.35 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-prop-2-enyl-6-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 4533537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).