pyrimidine;pentahydrate;trihydrochloride

C4H17Cl3N2O5 — CID 139950322

IUPACpyrimidine;pentahydrate;trihydrochloride
SMILESCl.Cl.Cl.O.O.O.O.O.c1cncnc1
InChIInChI=1S/C4H4N2.3ClH.5H2O/c1-2-5-4-6-3-1;;;;;;;;/h1-4H;3*1H;5*1H2
InChIKeyRIFMWNMJOGGKIH-UHFFFAOYSA-N
MW279.55 g/mol
LogP-2.38
Rot. Bonds

About pyrimidine;pentahydrate;trihydrochloride

pyrimidine;pentahydrate;trihydrochloride (PubChem CID 139950322) has the molecular formula C4H17Cl3N2O5 and a molecular weight of 279.55 g/mol. Its IUPAC name is pyrimidine;pentahydrate;trihydrochloride.

Molecular Properties

Compound Namepyrimidine;pentahydrate;trihydrochloride
PubChem CID139950322
Molecular FormulaC4H17Cl3N2O5
Molecular Weight279.55 g/mol
Exact Mass278.02
IUPAC Namepyrimidine;pentahydrate;trihydrochloride
SMILESCl.Cl.Cl.O.O.O.O.O.c1cncnc1
InChIInChI=1S/C4H4N2.3ClH.5H2O/c1-2-5-4-6-3-1;;;;;;;;/h1-4H;3*1H;5*1H2
InChIKeyRIFMWNMJOGGKIH-UHFFFAOYSA-N
XLogP-2.38
TPSA183.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.55
LogP ≤ 5-2.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze pyrimidine;pentahydrate;trihydrochloride 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

pyrimidine;dihydrate;hydrochloride
CID 142797131
pyrimidine;bis(tungsten(2+))
CID 175709201
copper;pyrimidine
CID 140826173
iron;pyrimidine
CID 160776334
nitroxyl;pyrimidine;hydrochloride
CID 174544758
manganese;pyrimidine;sulfane
CID 174633913
hypochlorous acid;pyrimidine
CID 161391603
CID 174457230
CID 174457230
methanethione;bis(pyrimidine)
CID 174411529
iminonickel;pyrimidine
CID 175480865
pyrimidine;urea;hydrochloride
CID 158909847
diiminoazanium;pyrimidine
CID 174635490

Frequently Asked Questions

What is the IUPAC name of pyrimidine;pentahydrate;trihydrochloride?
The IUPAC name of pyrimidine;pentahydrate;trihydrochloride (CID 139950322) is pyrimidine;pentahydrate;trihydrochloride.
What is the SMILES notation for pyrimidine;pentahydrate;trihydrochloride?
The canonical SMILES for pyrimidine;pentahydrate;trihydrochloride is Cl.Cl.Cl.O.O.O.O.O.c1cncnc1.
What is the InChIKey of pyrimidine;pentahydrate;trihydrochloride?
The InChIKey is RIFMWNMJOGGKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.3ClH.5H2O/c1-2-5-4-6-3-1;;;;;;;;/h1-4H;3*1H;5*1H2.
What are the key properties of pyrimidine;pentahydrate;trihydrochloride?
pyrimidine;pentahydrate;trihydrochloride has a molecular weight of 279.55 g/mol, XLogP of -2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidine;pentahydrate;trihydrochloride is sourced from PubChem (CID 139950322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).