4-(dimethylamino)-1H-pyrimidin-6-one

C6H9N3O — CID 135755308

IUPAC4-(dimethylamino)-1H-pyrimidin-6-one
SMILESCN(C)c1cc(=O)[nH]cn1
InChIInChI=1S/C6H9N3O/c1-9(2)5-3-6(10)8-4-7-5/h3-4H,1-2H3,(H,7,8,10)
InChIKeySGKXLTBPIIMZJM-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.16
Rot. Bonds1

About 4-(dimethylamino)-1H-pyrimidin-6-one

4-(dimethylamino)-1H-pyrimidin-6-one (PubChem CID 135755308) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 4-(dimethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(dimethylamino)-1H-pyrimidin-6-one
PubChem CID135755308
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name4-(dimethylamino)-1H-pyrimidin-6-one
SMILESCN(C)c1cc(=O)[nH]cn1
InChIInChI=1S/C6H9N3O/c1-9(2)5-3-6(10)8-4-7-5/h3-4H,1-2H3,(H,7,8,10)
InChIKeySGKXLTBPIIMZJM-UHFFFAOYSA-N
XLogP-0.16
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(dimethylamino)-1H-pyrimidin-6-one (CID 135755308) is 4-(dimethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(dimethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(dimethylamino)-1H-pyrimidin-6-one is CN(C)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-(dimethylamino)-1H-pyrimidin-6-one?
The InChIKey is SGKXLTBPIIMZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-9(2)5-3-6(10)8-4-7-5/h3-4H,1-2H3,(H,7,8,10).
What are the key properties of 4-(dimethylamino)-1H-pyrimidin-6-one?
4-(dimethylamino)-1H-pyrimidin-6-one has a molecular weight of 139.16 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135755308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).