pyrimidine;dihydrate;hydrochloride

C4H9ClN2O2 — CID 142797131

IUPACpyrimidine;dihydrate;hydrochloride
SMILESCl.O.O.c1cncnc1
InChIInChI=1S/C4H4N2.ClH.2H2O/c1-2-5-4-6-3-1;;;/h1-4H;1H;2*1H2
InChIKeyKHVJIOJONOSOEU-UHFFFAOYSA-N
MW152.58 g/mol
LogP-0.75
Rot. Bonds

About pyrimidine;dihydrate;hydrochloride

pyrimidine;dihydrate;hydrochloride (PubChem CID 142797131) has the molecular formula C4H9ClN2O2 and a molecular weight of 152.58 g/mol. Its IUPAC name is pyrimidine;dihydrate;hydrochloride.

Molecular Properties

Compound Namepyrimidine;dihydrate;hydrochloride
PubChem CID142797131
Molecular FormulaC4H9ClN2O2
Molecular Weight152.58 g/mol
Exact Mass152.04
IUPAC Namepyrimidine;dihydrate;hydrochloride
SMILESCl.O.O.c1cncnc1
InChIInChI=1S/C4H4N2.ClH.2H2O/c1-2-5-4-6-3-1;;;/h1-4H;1H;2*1H2
InChIKeyKHVJIOJONOSOEU-UHFFFAOYSA-N
XLogP-0.75
TPSA88.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 5-0.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 174457230
CID 174457230
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Frequently Asked Questions

What is the IUPAC name of pyrimidine;dihydrate;hydrochloride?
The IUPAC name of pyrimidine;dihydrate;hydrochloride (CID 142797131) is pyrimidine;dihydrate;hydrochloride.
What is the SMILES notation for pyrimidine;dihydrate;hydrochloride?
The canonical SMILES for pyrimidine;dihydrate;hydrochloride is Cl.O.O.c1cncnc1.
What is the InChIKey of pyrimidine;dihydrate;hydrochloride?
The InChIKey is KHVJIOJONOSOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.ClH.2H2O/c1-2-5-4-6-3-1;;;/h1-4H;1H;2*1H2.
What are the key properties of pyrimidine;dihydrate;hydrochloride?
pyrimidine;dihydrate;hydrochloride has a molecular weight of 152.58 g/mol, XLogP of -0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidine;dihydrate;hydrochloride is sourced from PubChem (CID 142797131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).