2-amino-4-(hydroxymethyl)-1H-pyrimidin-6-one

C5H7N3O2 — CID 135856826

IUPAC2-amino-4-(hydroxymethyl)-1H-pyrimidin-6-one
SMILESNc1nc(CO)cc(=O)[nH]1
InChIInChI=1S/C5H7N3O2/c6-5-7-3(2-9)1-4(10)8-5/h1,9H,2H2,(H3,6,7,8,10)
InChIKeyIPINWIPSUBSTMZ-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.16
Rot. Bonds1

About 2-amino-4-(hydroxymethyl)-1H-pyrimidin-6-one

2-amino-4-(hydroxymethyl)-1H-pyrimidin-6-one (PubChem CID 135856826) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 2-amino-4-(hydroxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(hydroxymethyl)-1H-pyrimidin-6-one
PubChem CID135856826
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name2-amino-4-(hydroxymethyl)-1H-pyrimidin-6-one
SMILESNc1nc(CO)cc(=O)[nH]1
InChIInChI=1S/C5H7N3O2/c6-5-7-3(2-9)1-4(10)8-5/h1,9H,2H2,(H3,6,7,8,10)
InChIKeyIPINWIPSUBSTMZ-UHFFFAOYSA-N
XLogP-1.16
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(hydroxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(hydroxymethyl)-1H-pyrimidin-6-one (CID 135856826) is 2-amino-4-(hydroxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(hydroxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(hydroxymethyl)-1H-pyrimidin-6-one is Nc1nc(CO)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-(hydroxymethyl)-1H-pyrimidin-6-one?
The InChIKey is IPINWIPSUBSTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c6-5-7-3(2-9)1-4(10)8-5/h1,9H,2H2,(H3,6,7,8,10).
What are the key properties of 2-amino-4-(hydroxymethyl)-1H-pyrimidin-6-one?
2-amino-4-(hydroxymethyl)-1H-pyrimidin-6-one has a molecular weight of 141.13 g/mol, XLogP of -1.16, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(hydroxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135856826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).