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

C6H13N5O — CID 143574107

IUPACethane;2,4,5-triamino-1H-pyrimidin-6-one
SMILESCC.Nc1nc(N)c(N)c(=O)[nH]1
InChIInChI=1S/C4H7N5O.C2H6/c5-1-2(6)8-4(7)9-3(1)10;1-2/h5H2,(H5,6,7,8,9,10);1-2H3
InChIKeyVEYTWQJQBSJEIP-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.46
Rot. Bonds

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

ethane;2,4,5-triamino-1H-pyrimidin-6-one (PubChem CID 143574107) has the molecular formula C6H13N5O and a molecular weight of 171.20 g/mol. Its IUPAC name is ethane;2,4,5-triamino-1H-pyrimidin-6-one.

Molecular Properties

Compound Nameethane;2,4,5-triamino-1H-pyrimidin-6-one
PubChem CID143574107
Molecular FormulaC6H13N5O
Molecular Weight171.20 g/mol
Exact Mass171.11
IUPAC Nameethane;2,4,5-triamino-1H-pyrimidin-6-one
SMILESCC.Nc1nc(N)c(N)c(=O)[nH]1
InChIInChI=1S/C4H7N5O.C2H6/c5-1-2(6)8-4(7)9-3(1)10;1-2/h5H2,(H5,6,7,8,9,10);1-2H3
InChIKeyVEYTWQJQBSJEIP-UHFFFAOYSA-N
XLogP-0.46
TPSA123.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;2,4,5-triamino-1H-pyrimidin-6-one?
The IUPAC name of ethane;2,4,5-triamino-1H-pyrimidin-6-one (CID 143574107) is ethane;2,4,5-triamino-1H-pyrimidin-6-one.
What is the SMILES notation for ethane;2,4,5-triamino-1H-pyrimidin-6-one?
The canonical SMILES for ethane;2,4,5-triamino-1H-pyrimidin-6-one is CC.Nc1nc(N)c(N)c(=O)[nH]1.
What is the InChIKey of ethane;2,4,5-triamino-1H-pyrimidin-6-one?
The InChIKey is VEYTWQJQBSJEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O.C2H6/c5-1-2(6)8-4(7)9-3(1)10;1-2/h5H2,(H5,6,7,8,9,10);1-2H3.
What are the key properties of ethane;2,4,5-triamino-1H-pyrimidin-6-one?
ethane;2,4,5-triamino-1H-pyrimidin-6-one has a molecular weight of 171.20 g/mol, XLogP of -0.46, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,4,5-triamino-1H-pyrimidin-6-one is sourced from PubChem (CID 143574107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).