1-phenyl-3-[4-(phenylcarbamoylamino)-1,3,5-triazin-2-yl]urea

C17H15N7O2 — CID 23876655

IUPAC1-phenyl-3-[4-(phenylcarbamoylamino)-1,3,5-triazin-2-yl]urea
SMILESO=C(Nc1ccccc1)Nc1ncnc(NC(=O)Nc2ccccc2)n1
InChIInChI=1S/C17H15N7O2/c25-16(20-12-7-3-1-4-8-12)23-14-18-11-19-15(22-14)24-17(26)21-13-9-5-2-6-10-13/h1-11H,(H4,18,19,20,21,22,23,24,25,26)
InChIKeyMNXNMNBGQRGFGK-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.16
Rot. Bonds4

About 1-phenyl-3-[4-(phenylcarbamoylamino)-1,3,5-triazin-2-yl]urea

1-phenyl-3-[4-(phenylcarbamoylamino)-1,3,5-triazin-2-yl]urea (PubChem CID 23876655) has the molecular formula C17H15N7O2 and a molecular weight of 349.35 g/mol. Its IUPAC name is 1-phenyl-3-[4-(phenylcarbamoylamino)-1,3,5-triazin-2-yl]urea.

Molecular Properties

Compound Name1-phenyl-3-[4-(phenylcarbamoylamino)-1,3,5-triazin-2-yl]urea
PubChem CID23876655
Molecular FormulaC17H15N7O2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Name1-phenyl-3-[4-(phenylcarbamoylamino)-1,3,5-triazin-2-yl]urea
SMILESO=C(Nc1ccccc1)Nc1ncnc(NC(=O)Nc2ccccc2)n1
InChIInChI=1S/C17H15N7O2/c25-16(20-12-7-3-1-4-8-12)23-14-18-11-19-15(22-14)24-17(26)21-13-9-5-2-6-10-13/h1-11H,(H4,18,19,20,21,22,23,24,25,26)
InChIKeyMNXNMNBGQRGFGK-UHFFFAOYSA-N
XLogP3.16
TPSA120.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-phenyl-3-[4-(phenylcarbamoylamino)-1,3,5-triazin-2-yl]urea 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-(5-phenyl-1,2,4-thiadiazol-3-yl)urea
CID 102116941
CID 172854912
CID 172854912
1-phenyl-3-[3-(phenylcarbamoylamino)phenazin-2-yl]urea
CID 102390231
1-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylurea
CID 972826
1-[dichloro-(phenylcarbamoylamino)methyl]-3-phenylurea
CID 3516475
N-methoxy-4-(phenylcarbamoylamino)benzamide
CID 33101054
6-methyl-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 38477101
(2S)-2-amino-3-[4-(phenylcarbamoylamino)phenyl]propanoic acid
CID 130323270
1-(2-phenoxypyrimidin-5-yl)-3-phenylurea
CID 122302271
1-[6-(methylamino)-3-pyridinyl]-3-phenylurea
CID 115268499
1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-phenylurea
CID 110472243
1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea
CID 22936793

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[4-(phenylcarbamoylamino)-1,3,5-triazin-2-yl]urea?
The IUPAC name of 1-phenyl-3-[4-(phenylcarbamoylamino)-1,3,5-triazin-2-yl]urea (CID 23876655) is 1-phenyl-3-[4-(phenylcarbamoylamino)-1,3,5-triazin-2-yl]urea.
What is the SMILES notation for 1-phenyl-3-[4-(phenylcarbamoylamino)-1,3,5-triazin-2-yl]urea?
The canonical SMILES for 1-phenyl-3-[4-(phenylcarbamoylamino)-1,3,5-triazin-2-yl]urea is O=C(Nc1ccccc1)Nc1ncnc(NC(=O)Nc2ccccc2)n1.
What is the InChIKey of 1-phenyl-3-[4-(phenylcarbamoylamino)-1,3,5-triazin-2-yl]urea?
The InChIKey is MNXNMNBGQRGFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O2/c25-16(20-12-7-3-1-4-8-12)23-14-18-11-19-15(22-14)24-17(26)21-13-9-5-2-6-10-13/h1-11H,(H4,18,19,20,21,22,23,24,25,26).
What are the key properties of 1-phenyl-3-[4-(phenylcarbamoylamino)-1,3,5-triazin-2-yl]urea?
1-phenyl-3-[4-(phenylcarbamoylamino)-1,3,5-triazin-2-yl]urea has a molecular weight of 349.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[4-(phenylcarbamoylamino)-1,3,5-triazin-2-yl]urea is sourced from PubChem (CID 23876655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).