(5-chloropyrimidin-2-yl)urea

C5H5ClN4O — CID 144536009

IUPAC(5-chloropyrimidin-2-yl)urea
SMILESNC(=O)Nc1ncc(Cl)cn1
InChIInChI=1S/C5H5ClN4O/c6-3-1-8-5(9-2-3)10-4(7)11/h1-2H,(H3,7,8,9,10,11)
InChIKeyQHLKAHNSJOARNS-UHFFFAOYSA-N
MW172.58 g/mol
LogP0.62
Rot. Bonds1

About (5-chloropyrimidin-2-yl)urea

(5-chloropyrimidin-2-yl)urea (PubChem CID 144536009) has the molecular formula C5H5ClN4O and a molecular weight of 172.58 g/mol. Its IUPAC name is (5-chloropyrimidin-2-yl)urea.

Molecular Properties

Compound Name(5-chloropyrimidin-2-yl)urea
PubChem CID144536009
Molecular FormulaC5H5ClN4O
Molecular Weight172.58 g/mol
Exact Mass172.02
IUPAC Name(5-chloropyrimidin-2-yl)urea
SMILESNC(=O)Nc1ncc(Cl)cn1
InChIInChI=1S/C5H5ClN4O/c6-3-1-8-5(9-2-3)10-4(7)11/h1-2H,(H3,7,8,9,10,11)
InChIKeyQHLKAHNSJOARNS-UHFFFAOYSA-N
XLogP0.62
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.58
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5-chloropyrimidin-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

2-[(5-chloropyrimidin-2-yl)carbamoyl]benzoic acid
CID 23797836
N-(5-chloropyrimidin-2-yl)-3-fluorobenzamide
CID 54265719
carbamic acid;(5-hydroxypyrimidin-2-yl)carbamic acid
CID 89456624
3-[(5-chloropyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 103823329
5-chloro-N-methylpyrimidin-2-amine;dihydrochloride
CID 175309566
2-[(5-chloro-2-pyridinyl)amino]prop-2-enamide
CID 144725411
N'-(5-chloro-2-pyridinyl)oxamide;hydrochloride
CID 22934756
2-[3-[(5-chloropyrimidin-2-yl)amino]-4-methylphenyl]acetamide
CID 175913254
N-(5-chloropyrimidin-2-yl)-4-hydroxy-1,2,6-trimethyl-2H-pyridine-3-carboxamide
CID 143392902
N-[4-(carbamoylamino)phenyl]-5-chloropyrazine-2-carboxamide
CID 103817085
[(6R)-6-amino-5,6,7,8-tetrahydroquinazolin-2-yl]urea
CID 28820446
(4-chloro-2,6-difluorophenyl)urea
CID 59083606

Frequently Asked Questions

What is the IUPAC name of (5-chloropyrimidin-2-yl)urea?
The IUPAC name of (5-chloropyrimidin-2-yl)urea (CID 144536009) is (5-chloropyrimidin-2-yl)urea.
What is the SMILES notation for (5-chloropyrimidin-2-yl)urea?
The canonical SMILES for (5-chloropyrimidin-2-yl)urea is NC(=O)Nc1ncc(Cl)cn1.
What is the InChIKey of (5-chloropyrimidin-2-yl)urea?
The InChIKey is QHLKAHNSJOARNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN4O/c6-3-1-8-5(9-2-3)10-4(7)11/h1-2H,(H3,7,8,9,10,11).
What are the key properties of (5-chloropyrimidin-2-yl)urea?
(5-chloropyrimidin-2-yl)urea has a molecular weight of 172.58 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloropyrimidin-2-yl)urea is sourced from PubChem (CID 144536009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).