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

C5H7N3O — CID 135431330

IUPAC4-amino-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C5H7N3O/c1-3-7-4(6)2-5(9)8-3/h2H,1H3,(H3,6,7,8,9)
InChIKeyMVHONLHZERWNRF-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.34
Rot. Bonds

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

4-amino-2-methyl-1H-pyrimidin-6-one (PubChem CID 135431330) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 4-amino-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-methyl-1H-pyrimidin-6-one
PubChem CID135431330
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name4-amino-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C5H7N3O/c1-3-7-4(6)2-5(9)8-3/h2H,1H3,(H3,6,7,8,9)
InChIKeyMVHONLHZERWNRF-UHFFFAOYSA-N
XLogP-0.34
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-methyl-1H-pyrimidin-6-one (CID 135431330) is 4-amino-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-methyl-1H-pyrimidin-6-one is Cc1nc(N)cc(=O)[nH]1.
What is the InChIKey of 4-amino-2-methyl-1H-pyrimidin-6-one?
The InChIKey is MVHONLHZERWNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c1-3-7-4(6)2-5(9)8-3/h2H,1H3,(H3,6,7,8,9).
What are the key properties of 4-amino-2-methyl-1H-pyrimidin-6-one?
4-amino-2-methyl-1H-pyrimidin-6-one has a molecular weight of 125.13 g/mol, XLogP of -0.34, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135431330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).