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

C4H9N5O — CID 174791524

IUPACmolecular hydrogen;2,4,5-triamino-1H-pyrimidin-6-one
SMILESNc1nc(N)c(N)c(=O)[nH]1.[H][H]
InChIInChI=1S/C4H7N5O.H2/c5-1-2(6)8-4(7)9-3(1)10;/h5H2,(H5,6,7,8,9,10);1H
InChIKeySLICLBOIRQRYMO-UHFFFAOYSA-N
MW143.15 g/mol
LogP-1.24
Rot. Bonds

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

molecular hydrogen;2,4,5-triamino-1H-pyrimidin-6-one (PubChem CID 174791524) has the molecular formula C4H9N5O and a molecular weight of 143.15 g/mol. Its IUPAC name is molecular hydrogen;2,4,5-triamino-1H-pyrimidin-6-one.

Molecular Properties

Compound Namemolecular hydrogen;2,4,5-triamino-1H-pyrimidin-6-one
PubChem CID174791524
Molecular FormulaC4H9N5O
Molecular Weight143.15 g/mol
Exact Mass143.08
IUPAC Namemolecular hydrogen;2,4,5-triamino-1H-pyrimidin-6-one
SMILESNc1nc(N)c(N)c(=O)[nH]1.[H][H]
InChIInChI=1S/C4H7N5O.H2/c5-1-2(6)8-4(7)9-3(1)10;/h5H2,(H5,6,7,8,9,10);1H
InChIKeySLICLBOIRQRYMO-UHFFFAOYSA-N
XLogP-1.24
TPSA123.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

8-Oxoguanine
CID 135420630
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
2,5,6-Triamino-4-pyrimidinol sulfate
CID 135443549
Leucopterin
CID 135403796
2,5,6-Triamino-4-pyrimidinol hydrochloride
CID 135539464
4(3H)-Pyrimidinone, 2,5-diamino-6-hydroxy-, hydrochloride (1:1)
CID 2733980
2,5,6-Triamino-3-methylpyrimidin-4(3H)-one
CID 425138
5,6-diamino-2-(methylamino)pyrimidin-4(3H)-one
CID 135464817
Pyrimidine, 2,5-diamino-3,4-dihydro-6-methylamino-4-oxo-
CID 135850747
6-Amino-2-iminiumyl-4-oxo-1,2,3,4-tetrahydropyrimidin-5-aminium sulfate monohydrate
CID 139053084

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;2,4,5-triamino-1H-pyrimidin-6-one?
The IUPAC name of molecular hydrogen;2,4,5-triamino-1H-pyrimidin-6-one (CID 174791524) is molecular hydrogen;2,4,5-triamino-1H-pyrimidin-6-one.
What is the SMILES notation for molecular hydrogen;2,4,5-triamino-1H-pyrimidin-6-one?
The canonical SMILES for molecular hydrogen;2,4,5-triamino-1H-pyrimidin-6-one is Nc1nc(N)c(N)c(=O)[nH]1.[H][H].
What is the InChIKey of molecular hydrogen;2,4,5-triamino-1H-pyrimidin-6-one?
The InChIKey is SLICLBOIRQRYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O.H2/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 molecular hydrogen;2,4,5-triamino-1H-pyrimidin-6-one?
molecular hydrogen;2,4,5-triamino-1H-pyrimidin-6-one has a molecular weight of 143.15 g/mol, XLogP of -1.24, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;2,4,5-triamino-1H-pyrimidin-6-one is sourced from PubChem (CID 174791524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).