5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one

C5H7N3O2 — CID 13445890

IUPAC5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(N)c(=O)[nH]1
InChIInChI=1S/C5H7N3O2/c1-2-7-4(9)3(6)5(10)8-2/h6H2,1H3,(H2,7,8,9,10)
InChIKeyYICLTNFWMVEECR-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.63
Rot. Bonds

About 5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one

5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one (PubChem CID 13445890) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one
PubChem CID13445890
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(N)c(=O)[nH]1
InChIInChI=1S/C5H7N3O2/c1-2-7-4(9)3(6)5(10)8-2/h6H2,1H3,(H2,7,8,9,10)
InChIKeyYICLTNFWMVEECR-UHFFFAOYSA-N
XLogP-0.63
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one (CID 13445890) is 5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one is Cc1nc(O)c(N)c(=O)[nH]1.
What is the InChIKey of 5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The InChIKey is YICLTNFWMVEECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-2-7-4(9)3(6)5(10)8-2/h6H2,1H3,(H2,7,8,9,10).
What are the key properties of 5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one has a molecular weight of 141.13 g/mol, XLogP of -0.63, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 13445890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).