pyrimidine;urea;hydrochloride

C5H9ClN4O — CID 158909847

IUPACpyrimidine;urea;hydrochloride
SMILESCl.NC(N)=O.c1cncnc1
InChIInChI=1S/C4H4N2.CH4N2O.ClH/c1-2-5-4-6-3-1;2-1(3)4;/h1-4H;(H4,2,3,4);1H
InChIKeyJGMSZAJKRXLWHP-UHFFFAOYSA-N
MW176.61 g/mol
LogP-0.08
Rot. Bonds

About pyrimidine;urea;hydrochloride

pyrimidine;urea;hydrochloride (PubChem CID 158909847) has the molecular formula C5H9ClN4O and a molecular weight of 176.61 g/mol. Its IUPAC name is pyrimidine;urea;hydrochloride.

Molecular Properties

Compound Namepyrimidine;urea;hydrochloride
PubChem CID158909847
Molecular FormulaC5H9ClN4O
Molecular Weight176.61 g/mol
Exact Mass176.05
IUPAC Namepyrimidine;urea;hydrochloride
SMILESCl.NC(N)=O.c1cncnc1
InChIInChI=1S/C4H4N2.CH4N2O.ClH/c1-2-5-4-6-3-1;2-1(3)4;/h1-4H;(H4,2,3,4);1H
InChIKeyJGMSZAJKRXLWHP-UHFFFAOYSA-N
XLogP-0.08
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.61
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze pyrimidine;urea;hydrochloride 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

sodium;hydride;pyrimidine;urea
CID 175308359
hydroxyurea;pyrimidine
CID 158095220
pyrimidine;2,2,2-trifluoroacetamide
CID 160525351
nitroxyl;pyrimidine;hydrochloride
CID 174544758
pyrimidine;dihydrate;hydrochloride
CID 142797131
pyrimidine;pentahydrate;trihydrochloride
CID 139950322
bis(pyridine);urea;hydrofluoride
CID 174564586
hypochlorous acid;pyrimidine
CID 161391603
pyrimidine;bis(tungsten(2+))
CID 175709201
copper;pyrimidine
CID 140826173
iron;pyrimidine
CID 160776334
ethane;bis(propan-2-one);pyridine;bis(pyrimidine)
CID 158052279

Frequently Asked Questions

What is the IUPAC name of pyrimidine;urea;hydrochloride?
The IUPAC name of pyrimidine;urea;hydrochloride (CID 158909847) is pyrimidine;urea;hydrochloride.
What is the SMILES notation for pyrimidine;urea;hydrochloride?
The canonical SMILES for pyrimidine;urea;hydrochloride is Cl.NC(N)=O.c1cncnc1.
What is the InChIKey of pyrimidine;urea;hydrochloride?
The InChIKey is JGMSZAJKRXLWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.CH4N2O.ClH/c1-2-5-4-6-3-1;2-1(3)4;/h1-4H;(H4,2,3,4);1H.
What are the key properties of pyrimidine;urea;hydrochloride?
pyrimidine;urea;hydrochloride has a molecular weight of 176.61 g/mol, XLogP of -0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidine;urea;hydrochloride is sourced from PubChem (CID 158909847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).