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

C4H7N5O — CID 135406869

IUPAC2,4,5-triamino-1H-pyrimidin-6-one
SMILESNc1nc(N)c(N)c(=O)[nH]1
InChIInChI=1S/C4H7N5O/c5-1-2(6)8-4(7)9-3(1)10/h5H2,(H5,6,7,8,9,10)
InChIKeySYEYEGBZVSWYPK-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.48
Rot. Bonds

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

2,4,5-triamino-1H-pyrimidin-6-one (PubChem CID 135406869) has the molecular formula C4H7N5O and a molecular weight of 141.13 g/mol. Its IUPAC name is 2,4,5-triamino-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4,5-triamino-1H-pyrimidin-6-one
PubChem CID135406869
Molecular FormulaC4H7N5O
Molecular Weight141.13 g/mol
Exact Mass141.07
IUPAC Name2,4,5-triamino-1H-pyrimidin-6-one
SMILESNc1nc(N)c(N)c(=O)[nH]1
InChIInChI=1S/C4H7N5O/c5-1-2(6)8-4(7)9-3(1)10/h5H2,(H5,6,7,8,9,10)
InChIKeySYEYEGBZVSWYPK-UHFFFAOYSA-N
XLogP-1.48
TPSA123.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

8-Oxoguanine
CID 135420630
2,6-diamino-5-nitroso-1H-pyrimidin-4-one
CID 135408762
2,5-Diamino-4,6-dihydroxypyrimidine
CID 2733981
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
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
azanium 6,8-dioxo-7,9-dihydro-1H-purin-2-olate
CID 136268820

Frequently Asked Questions

What is the IUPAC name of 2,4,5-triamino-1H-pyrimidin-6-one?
The IUPAC name of 2,4,5-triamino-1H-pyrimidin-6-one (CID 135406869) is 2,4,5-triamino-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4,5-triamino-1H-pyrimidin-6-one?
The canonical SMILES for 2,4,5-triamino-1H-pyrimidin-6-one is Nc1nc(N)c(N)c(=O)[nH]1.
What is the InChIKey of 2,4,5-triamino-1H-pyrimidin-6-one?
The InChIKey is SYEYEGBZVSWYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O/c5-1-2(6)8-4(7)9-3(1)10/h5H2,(H5,6,7,8,9,10).
What are the key properties of 2,4,5-triamino-1H-pyrimidin-6-one?
2,4,5-triamino-1H-pyrimidin-6-one has a molecular weight of 141.13 g/mol, XLogP of -1.48, 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 is sourced from PubChem (CID 135406869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).