N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]pyrimidin-2-amine

C17H14N4 — CID 18093346

IUPACN-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]pyrimidin-2-amine
SMILESC(=C/c1ccccn1)\c1cccc(Nc2ncccn2)c1
InChIInChI=1S/C17H14N4/c1-2-10-18-15(6-1)9-8-14-5-3-7-16(13-14)21-17-19-11-4-12-20-17/h1-13H,(H,19,20,21)/b9-8+
InChIKeyNGCPIYOIVRPPIY-CMDGGOBGSA-N
MW274.33 g/mol
LogP3.79
Rot. Bonds4

About N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]pyrimidin-2-amine

N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]pyrimidin-2-amine (PubChem CID 18093346) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]pyrimidin-2-amine
PubChem CID18093346
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC NameN-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]pyrimidin-2-amine
SMILESC(=C/c1ccccn1)\c1cccc(Nc2ncccn2)c1
InChIInChI=1S/C17H14N4/c1-2-10-18-15(6-1)9-8-14-5-3-7-16(13-14)21-17-19-11-4-12-20-17/h1-13H,(H,19,20,21)/b9-8+
InChIKeyNGCPIYOIVRPPIY-CMDGGOBGSA-N
XLogP3.79
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(E)-2-(3-methylphenyl)ethenyl]pyridine
CID 5463079
2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine
CID 5076981
2-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide
CID 8751013
2-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
CID 6224152
4-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide
CID 8751018
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
3-fluoro-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide
CID 4824000
3-[(E)-2-pyridin-2-ylethenyl]benzonitrile
CID 18763276
2-(2-phenylethenyl)pyridine;pyridine
CID 174553806
4-acetyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
CID 40664221
4-cyano-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide
CID 4823960
3-cyano-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
CID 7938889

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]pyrimidin-2-amine?
The IUPAC name of N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]pyrimidin-2-amine (CID 18093346) is N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]pyrimidin-2-amine?
The canonical SMILES for N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]pyrimidin-2-amine is C(=C/c1ccccn1)\c1cccc(Nc2ncccn2)c1.
What is the InChIKey of N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]pyrimidin-2-amine?
The InChIKey is NGCPIYOIVRPPIY-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H14N4/c1-2-10-18-15(6-1)9-8-14-5-3-7-16(13-14)21-17-19-11-4-12-20-17/h1-13H,(H,19,20,21)/b9-8+.
What are the key properties of N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]pyrimidin-2-amine?
N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]pyrimidin-2-amine has a molecular weight of 274.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 18093346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).