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

C4H9Cl2N5O — CID 135418523

IUPAC2,4,5-triamino-1H-pyrimidin-6-one;dihydrochloride
SMILESCl.Cl.Nc1nc(N)c(N)c(=O)[nH]1
InChIInChI=1S/C4H7N5O.2ClH/c5-1-2(6)8-4(7)9-3(1)10;;/h5H2,(H5,6,7,8,9,10);2*1H
InChIKeyRGALMPOBPCWQJV-UHFFFAOYSA-N
MW214.06 g/mol
LogP-0.64
Rot. Bonds

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

2,4,5-triamino-1H-pyrimidin-6-one;dihydrochloride (PubChem CID 135418523) has the molecular formula C4H9Cl2N5O and a molecular weight of 214.06 g/mol. Its IUPAC name is 2,4,5-triamino-1H-pyrimidin-6-one;dihydrochloride.

Molecular Properties

Compound Name2,4,5-triamino-1H-pyrimidin-6-one;dihydrochloride
PubChem CID135418523
Molecular FormulaC4H9Cl2N5O
Molecular Weight214.06 g/mol
Exact Mass213.02
IUPAC Name2,4,5-triamino-1H-pyrimidin-6-one;dihydrochloride
SMILESCl.Cl.Nc1nc(N)c(N)c(=O)[nH]1
InChIInChI=1S/C4H7N5O.2ClH/c5-1-2(6)8-4(7)9-3(1)10;;/h5H2,(H5,6,7,8,9,10);2*1H
InChIKeyRGALMPOBPCWQJV-UHFFFAOYSA-N
XLogP-0.64
TPSA123.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2,5,6-Triamino-4(1H)-pyrimidinone
CID 135406869
2,5-Diamino-4,6-dihydroxypyrimidine
CID 2733981
2,5,6-Triamino-4-pyrimidinol hydrochloride
CID 135539464
4(3H)-Pyrimidinone, 2,5-diamino-6-hydroxy-, hydrochloride (1:1)
CID 2733980
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
2,5-Diamino-4,6-dihydroxypyrimidine HCl monohydrate
CID 45358500
2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydron;chloride
CID 66759215
2,5-diamino-4-chloro-1H-pyrimidin-6-one
CID 135773349
2,5-Diamino-6-(dimethylamino)pyrimidin-4(1H)-one
CID 135850743
3-Amino-8lambda3-ioda-2,4,7,9-tetrazabicyclo[4.3.0]nona-1(6),2,8-trien-5-one
CID 136381971

Frequently Asked Questions

What is the IUPAC name of 2,4,5-triamino-1H-pyrimidin-6-one;dihydrochloride?
The IUPAC name of 2,4,5-triamino-1H-pyrimidin-6-one;dihydrochloride (CID 135418523) is 2,4,5-triamino-1H-pyrimidin-6-one;dihydrochloride.
What is the SMILES notation for 2,4,5-triamino-1H-pyrimidin-6-one;dihydrochloride?
The canonical SMILES for 2,4,5-triamino-1H-pyrimidin-6-one;dihydrochloride is Cl.Cl.Nc1nc(N)c(N)c(=O)[nH]1.
What is the InChIKey of 2,4,5-triamino-1H-pyrimidin-6-one;dihydrochloride?
The InChIKey is RGALMPOBPCWQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O.2ClH/c5-1-2(6)8-4(7)9-3(1)10;;/h5H2,(H5,6,7,8,9,10);2*1H.
What are the key properties of 2,4,5-triamino-1H-pyrimidin-6-one;dihydrochloride?
2,4,5-triamino-1H-pyrimidin-6-one;dihydrochloride has a molecular weight of 214.06 g/mol, XLogP of -0.64, 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;dihydrochloride is sourced from PubChem (CID 135418523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).