1-phenyl-3-[4-(pyridin-3-ylmethylamino)phenyl]-1-pyrimidin-5-ylurea

C23H20N6O — CID 68640144

IUPAC1-phenyl-3-[4-(pyridin-3-ylmethylamino)phenyl]-1-pyrimidin-5-ylurea
SMILESO=C(Nc1ccc(NCc2cccnc2)cc1)N(c1ccccc1)c1cncnc1
InChIInChI=1S/C23H20N6O/c30-23(29(21-6-2-1-3-7-21)22-15-25-17-26-16-22)28-20-10-8-19(9-11-20)27-14-18-5-4-12-24-13-18/h1-13,15-17,27H,14H2,(H,28,30)
InChIKeyPIOWLNPIIJYKDG-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.85
Rot. Bonds6

About 1-phenyl-3-[4-(pyridin-3-ylmethylamino)phenyl]-1-pyrimidin-5-ylurea

1-phenyl-3-[4-(pyridin-3-ylmethylamino)phenyl]-1-pyrimidin-5-ylurea (PubChem CID 68640144) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is 1-phenyl-3-[4-(pyridin-3-ylmethylamino)phenyl]-1-pyrimidin-5-ylurea.

Molecular Properties

Compound Name1-phenyl-3-[4-(pyridin-3-ylmethylamino)phenyl]-1-pyrimidin-5-ylurea
PubChem CID68640144
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC Name1-phenyl-3-[4-(pyridin-3-ylmethylamino)phenyl]-1-pyrimidin-5-ylurea
SMILESO=C(Nc1ccc(NCc2cccnc2)cc1)N(c1ccccc1)c1cncnc1
InChIInChI=1S/C23H20N6O/c30-23(29(21-6-2-1-3-7-21)22-15-25-17-26-16-22)28-20-10-8-19(9-11-20)27-14-18-5-4-12-24-13-18/h1-13,15-17,27H,14H2,(H,28,30)
InChIKeyPIOWLNPIIJYKDG-UHFFFAOYSA-N
XLogP4.85
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-phenyl-3-[4-(pyridin-3-ylmethylamino)phenyl]-1-pyrimidin-5-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-3-pyridin-4-yl-1-pyrimidin-5-ylurea
CID 68639358
1-phenyl-3-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]urea
CID 113027801
3-phenoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]propanamide
CID 112983036
2-bromo-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide
CID 112983013
N-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191420
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
1-[4-(pyridin-3-ylmethylamino)phenyl]cyclobutane-1-carboxylic acid
CID 82539424
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
N-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109258997
N-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213139
1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110706294
1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 110706293

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[4-(pyridin-3-ylmethylamino)phenyl]-1-pyrimidin-5-ylurea?
The IUPAC name of 1-phenyl-3-[4-(pyridin-3-ylmethylamino)phenyl]-1-pyrimidin-5-ylurea (CID 68640144) is 1-phenyl-3-[4-(pyridin-3-ylmethylamino)phenyl]-1-pyrimidin-5-ylurea.
What is the SMILES notation for 1-phenyl-3-[4-(pyridin-3-ylmethylamino)phenyl]-1-pyrimidin-5-ylurea?
The canonical SMILES for 1-phenyl-3-[4-(pyridin-3-ylmethylamino)phenyl]-1-pyrimidin-5-ylurea is O=C(Nc1ccc(NCc2cccnc2)cc1)N(c1ccccc1)c1cncnc1.
What is the InChIKey of 1-phenyl-3-[4-(pyridin-3-ylmethylamino)phenyl]-1-pyrimidin-5-ylurea?
The InChIKey is PIOWLNPIIJYKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c30-23(29(21-6-2-1-3-7-21)22-15-25-17-26-16-22)28-20-10-8-19(9-11-20)27-14-18-5-4-12-24-13-18/h1-13,15-17,27H,14H2,(H,28,30).
What are the key properties of 1-phenyl-3-[4-(pyridin-3-ylmethylamino)phenyl]-1-pyrimidin-5-ylurea?
1-phenyl-3-[4-(pyridin-3-ylmethylamino)phenyl]-1-pyrimidin-5-ylurea has a molecular weight of 396.45 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[4-(pyridin-3-ylmethylamino)phenyl]-1-pyrimidin-5-ylurea is sourced from PubChem (CID 68640144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).