2,4,5-triamino-1H-pyrimidin-3-ium-6-one

C4H8N5O+ — CID 163980800

IUPAC2,4,5-triamino-1H-pyrimidin-3-ium-6-one
SMILESNc1[nH]c(=O)c(N)c(N)[nH+]1
InChIInChI=1S/C4H7N5O/c5-1-2(6)8-4(7)9-3(1)10/h5H2,(H5,6,7,8,9,10)/p+1
InChIKeySYEYEGBZVSWYPK-UHFFFAOYSA-O
MW142.14 g/mol
LogP-2.06
Rot. Bonds

About 2,4,5-triamino-1H-pyrimidin-3-ium-6-one

2,4,5-triamino-1H-pyrimidin-3-ium-6-one (PubChem CID 163980800) has the molecular formula C4H8N5O+ and a molecular weight of 142.14 g/mol. Its IUPAC name is 2,4,5-triamino-1H-pyrimidin-3-ium-6-one.

Molecular Properties

Compound Name2,4,5-triamino-1H-pyrimidin-3-ium-6-one
PubChem CID163980800
Molecular FormulaC4H8N5O+
Molecular Weight142.14 g/mol
Exact Mass142.07
IUPAC Name2,4,5-triamino-1H-pyrimidin-3-ium-6-one
SMILESNc1[nH]c(=O)c(N)c(N)[nH+]1
InChIInChI=1S/C4H7N5O/c5-1-2(6)8-4(7)9-3(1)10/h5H2,(H5,6,7,8,9,10)/p+1
InChIKeySYEYEGBZVSWYPK-UHFFFAOYSA-O
XLogP-2.06
TPSA125.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.14
LogP ≤ 5-2.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-triamino-1H-pyrimidin-3-ium-6-one?
The IUPAC name of 2,4,5-triamino-1H-pyrimidin-3-ium-6-one (CID 163980800) is 2,4,5-triamino-1H-pyrimidin-3-ium-6-one.
What is the SMILES notation for 2,4,5-triamino-1H-pyrimidin-3-ium-6-one?
The canonical SMILES for 2,4,5-triamino-1H-pyrimidin-3-ium-6-one is Nc1[nH]c(=O)c(N)c(N)[nH+]1.
What is the InChIKey of 2,4,5-triamino-1H-pyrimidin-3-ium-6-one?
The InChIKey is SYEYEGBZVSWYPK-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of 2,4,5-triamino-1H-pyrimidin-3-ium-6-one?
2,4,5-triamino-1H-pyrimidin-3-ium-6-one has a molecular weight of 142.14 g/mol, XLogP of -2.06, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-triamino-1H-pyrimidin-3-ium-6-one is sourced from PubChem (CID 163980800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).