1-phenyl-3-pyridin-4-yl-1-pyrimidin-5-ylurea

C16H13N5O — CID 68639358

IUPAC1-phenyl-3-pyridin-4-yl-1-pyrimidin-5-ylurea
SMILESO=C(Nc1ccncc1)N(c1ccccc1)c1cncnc1
InChIInChI=1S/C16H13N5O/c22-16(20-13-6-8-17-9-7-13)21(14-4-2-1-3-5-14)15-10-18-12-19-11-15/h1-12H,(H,17,20,22)
InChIKeyDPOCNZGPMZWEIO-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.24
Rot. Bonds3

About 1-phenyl-3-pyridin-4-yl-1-pyrimidin-5-ylurea

1-phenyl-3-pyridin-4-yl-1-pyrimidin-5-ylurea (PubChem CID 68639358) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-phenyl-3-pyridin-4-yl-1-pyrimidin-5-ylurea.

Molecular Properties

Compound Name1-phenyl-3-pyridin-4-yl-1-pyrimidin-5-ylurea
PubChem CID68639358
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name1-phenyl-3-pyridin-4-yl-1-pyrimidin-5-ylurea
SMILESO=C(Nc1ccncc1)N(c1ccccc1)c1cncnc1
InChIInChI=1S/C16H13N5O/c22-16(20-13-6-8-17-9-7-13)21(14-4-2-1-3-5-14)15-10-18-12-19-11-15/h1-12H,(H,17,20,22)
InChIKeyDPOCNZGPMZWEIO-UHFFFAOYSA-N
XLogP3.24
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-pyridin-4-yl-1-pyrimidin-5-ylurea?
The IUPAC name of 1-phenyl-3-pyridin-4-yl-1-pyrimidin-5-ylurea (CID 68639358) is 1-phenyl-3-pyridin-4-yl-1-pyrimidin-5-ylurea.
What is the SMILES notation for 1-phenyl-3-pyridin-4-yl-1-pyrimidin-5-ylurea?
The canonical SMILES for 1-phenyl-3-pyridin-4-yl-1-pyrimidin-5-ylurea is O=C(Nc1ccncc1)N(c1ccccc1)c1cncnc1.
What is the InChIKey of 1-phenyl-3-pyridin-4-yl-1-pyrimidin-5-ylurea?
The InChIKey is DPOCNZGPMZWEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c22-16(20-13-6-8-17-9-7-13)21(14-4-2-1-3-5-14)15-10-18-12-19-11-15/h1-12H,(H,17,20,22).
What are the key properties of 1-phenyl-3-pyridin-4-yl-1-pyrimidin-5-ylurea?
1-phenyl-3-pyridin-4-yl-1-pyrimidin-5-ylurea has a molecular weight of 291.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-pyridin-4-yl-1-pyrimidin-5-ylurea is sourced from PubChem (CID 68639358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).