[3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]urea

C15H13N5OS — CID 69471057

IUPAC[3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]urea
SMILESNC(=O)Nc1cccc(Nc2ncc(-c3ccsc3)cn2)c1
InChIInChI=1S/C15H13N5OS/c16-14(21)19-12-2-1-3-13(6-12)20-15-17-7-11(8-18-15)10-4-5-22-9-10/h1-9H,(H3,16,19,21)(H,17,18,20)
InChIKeyYGBJNRNBSWNZEW-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.44
Rot. Bonds4

About [3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]urea

[3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]urea (PubChem CID 69471057) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is [3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]urea.

Molecular Properties

Compound Name[3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]urea
PubChem CID69471057
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC Name[3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]urea
SMILESNC(=O)Nc1cccc(Nc2ncc(-c3ccsc3)cn2)c1
InChIInChI=1S/C15H13N5OS/c16-14(21)19-12-2-1-3-13(6-12)20-15-17-7-11(8-18-15)10-4-5-22-9-10/h1-9H,(H3,16,19,21)(H,17,18,20)
InChIKeyYGBJNRNBSWNZEW-UHFFFAOYSA-N
XLogP3.44
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methylpiperazin-1-yl)ethylamino]-N-[3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 11698132
4-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenol
CID 11587099
1-(4-fluorophenyl)-3-(5-thiophen-3-ylpyrimidin-2-yl)urea;5-thiophen-3-ylpyrimidin-2-amine
CID 158422976
3-N-(4-methyl-5-thiophen-3-ylpyrimidin-2-yl)benzene-1,3-diamine
CID 69466470
4-(benzylamino)-2-[3-(carbamoylamino)anilino]pyrimidine-5-carboxamide
CID 58098627
3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]phenol
CID 58542289
[3-(chloroamino)phenyl]urea
CID 155328094
[3-(methylamino)phenyl]urea
CID 23558981
tert-butyl N-[3-[(5-aminopyrimidin-2-yl)amino]phenyl]carbamate
CID 90378489
5-thiophen-3-ylpyridine-3-carboxamide
CID 71303610
N-(3-bromophenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 50826542
N-[4-[2-[(5-thiophen-3-yl-2-pyridinyl)amino]-4-[3-(trifluoromethyl)anilino]pyrimidin-5-yl]phenyl]acetamide
CID 163409158

Frequently Asked Questions

What is the IUPAC name of [3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]urea?
The IUPAC name of [3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]urea (CID 69471057) is [3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]urea.
What is the SMILES notation for [3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]urea?
The canonical SMILES for [3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]urea is NC(=O)Nc1cccc(Nc2ncc(-c3ccsc3)cn2)c1.
What is the InChIKey of [3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]urea?
The InChIKey is YGBJNRNBSWNZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c16-14(21)19-12-2-1-3-13(6-12)20-15-17-7-11(8-18-15)10-4-5-22-9-10/h1-9H,(H3,16,19,21)(H,17,18,20).
What are the key properties of [3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]urea?
[3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]urea has a molecular weight of 311.37 g/mol, XLogP of 3.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]urea is sourced from PubChem (CID 69471057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).