2-phenyl-5-(pyridin-4-ylmethyl)pyrimidine

C16H13N3 — CID 57330080

IUPAC2-phenyl-5-(pyridin-4-ylmethyl)pyrimidine
SMILESc1ccc(-c2ncc(Cc3ccncc3)cn2)cc1
InChIInChI=1S/C16H13N3/c1-2-4-15(5-3-1)16-18-11-14(12-19-16)10-13-6-8-17-9-7-13/h1-9,11-12H,10H2
InChIKeySHXKUNUNIGLFKR-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.13
Rot. Bonds3

About 2-phenyl-5-(pyridin-4-ylmethyl)pyrimidine

2-phenyl-5-(pyridin-4-ylmethyl)pyrimidine (PubChem CID 57330080) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-phenyl-5-(pyridin-4-ylmethyl)pyrimidine.

Molecular Properties

Compound Name2-phenyl-5-(pyridin-4-ylmethyl)pyrimidine
PubChem CID57330080
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name2-phenyl-5-(pyridin-4-ylmethyl)pyrimidine
SMILESc1ccc(-c2ncc(Cc3ccncc3)cn2)cc1
InChIInChI=1S/C16H13N3/c1-2-4-15(5-3-1)16-18-11-14(12-19-16)10-13-6-8-17-9-7-13/h1-9,11-12H,10H2
InChIKeySHXKUNUNIGLFKR-UHFFFAOYSA-N
XLogP3.13
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(pyridin-4-ylmethyl)pyrimidine?
The IUPAC name of 2-phenyl-5-(pyridin-4-ylmethyl)pyrimidine (CID 57330080) is 2-phenyl-5-(pyridin-4-ylmethyl)pyrimidine.
What is the SMILES notation for 2-phenyl-5-(pyridin-4-ylmethyl)pyrimidine?
The canonical SMILES for 2-phenyl-5-(pyridin-4-ylmethyl)pyrimidine is c1ccc(-c2ncc(Cc3ccncc3)cn2)cc1.
What is the InChIKey of 2-phenyl-5-(pyridin-4-ylmethyl)pyrimidine?
The InChIKey is SHXKUNUNIGLFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c1-2-4-15(5-3-1)16-18-11-14(12-19-16)10-13-6-8-17-9-7-13/h1-9,11-12H,10H2.
What are the key properties of 2-phenyl-5-(pyridin-4-ylmethyl)pyrimidine?
2-phenyl-5-(pyridin-4-ylmethyl)pyrimidine has a molecular weight of 247.30 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(pyridin-4-ylmethyl)pyrimidine is sourced from PubChem (CID 57330080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).