2,4,5-triamino-1H-pyrimidin-6-one;hydrochloride

C4H8ClN5O — CID 135539464

IUPAC2,4,5-triamino-1H-pyrimidin-6-one;hydrochloride
SMILESCl.Nc1nc(N)c(N)c(=O)[nH]1
InChIInChI=1S/C4H7N5O.ClH/c5-1-2(6)8-4(7)9-3(1)10;/h5H2,(H5,6,7,8,9,10);1H
InChIKeyFXJIENVHFLGIJR-UHFFFAOYSA-N
MW177.60 g/mol
LogP-1.06
Rot. Bonds

About 2,4,5-triamino-1H-pyrimidin-6-one;hydrochloride

2,4,5-triamino-1H-pyrimidin-6-one;hydrochloride (PubChem CID 135539464) has the molecular formula C4H8ClN5O and a molecular weight of 177.60 g/mol. Its IUPAC name is 2,4,5-triamino-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name2,4,5-triamino-1H-pyrimidin-6-one;hydrochloride
PubChem CID135539464
Molecular FormulaC4H8ClN5O
Molecular Weight177.60 g/mol
Exact Mass177.04
IUPAC Name2,4,5-triamino-1H-pyrimidin-6-one;hydrochloride
SMILESCl.Nc1nc(N)c(N)c(=O)[nH]1
InChIInChI=1S/C4H7N5O.ClH/c5-1-2(6)8-4(7)9-3(1)10;/h5H2,(H5,6,7,8,9,10);1H
InChIKeyFXJIENVHFLGIJR-UHFFFAOYSA-N
XLogP-1.06
TPSA123.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.60
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2,5,6-Triamino-4(1H)-pyrimidinone
CID 135406869
2,6-diamino-5-nitroso-1H-pyrimidin-4-one
CID 135408762
2,5-Diamino-4,6-dihydroxypyrimidine
CID 2733981
4(3H)-Pyrimidinone, 2,5-diamino-6-hydroxy-, hydrochloride (1:1)
CID 2733980
5,6-diamino-2-(methylamino)pyrimidin-4(3H)-one
CID 135464817
Pyrimidine, 2,5-diamino-3,4-dihydro-6-methylamino-4-oxo-
CID 135850747
2,5-Diamino-6-methylpyrimidin-4(1h)-one
CID 135491050
2,5-Diamino-4-hydroxy-6-mercaptopyrimidine
CID 12737125
2,4,5-Triamino-6-pyrimidinol dihydrochloride
CID 135418523
2,5-diamino-4-(1-fluoroethenylamino)-1H-pyrimidin-6-one
CID 137123526
4,5-diamino-2-fluoro-1H-pyrimidin-6-one
CID 145259514
8-Hydroxyguanine Hydrochloride
CID 136257790

Frequently Asked Questions

What is the IUPAC name of 2,4,5-triamino-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 2,4,5-triamino-1H-pyrimidin-6-one;hydrochloride (CID 135539464) is 2,4,5-triamino-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 2,4,5-triamino-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 2,4,5-triamino-1H-pyrimidin-6-one;hydrochloride is Cl.Nc1nc(N)c(N)c(=O)[nH]1.
What is the InChIKey of 2,4,5-triamino-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is FXJIENVHFLGIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O.ClH/c5-1-2(6)8-4(7)9-3(1)10;/h5H2,(H5,6,7,8,9,10);1H.
What are the key properties of 2,4,5-triamino-1H-pyrimidin-6-one;hydrochloride?
2,4,5-triamino-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 177.60 g/mol, XLogP of -1.06, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-triamino-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 135539464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).