4-(dimethylamino)-2,5-dimethyl-1H-pyrimidin-6-one

C8H13N3O — CID 170231364

IUPAC4-(dimethylamino)-2,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(N(C)C)c(C)c(=O)[nH]1
InChIInChI=1S/C8H13N3O/c1-5-7(11(3)4)9-6(2)10-8(5)12/h1-4H3,(H,9,10,12)
InChIKeyGAQRLWZDSLOULR-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.45
Rot. Bonds1

About 4-(dimethylamino)-2,5-dimethyl-1H-pyrimidin-6-one

4-(dimethylamino)-2,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 170231364) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-(dimethylamino)-2,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(dimethylamino)-2,5-dimethyl-1H-pyrimidin-6-one
PubChem CID170231364
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-(dimethylamino)-2,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(N(C)C)c(C)c(=O)[nH]1
InChIInChI=1S/C8H13N3O/c1-5-7(11(3)4)9-6(2)10-8(5)12/h1-4H3,(H,9,10,12)
InChIKeyGAQRLWZDSLOULR-UHFFFAOYSA-N
XLogP0.45
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(dimethylamino)-2,5-dimethyl-1H-pyrimidin-6-one (CID 170231364) is 4-(dimethylamino)-2,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(dimethylamino)-2,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(dimethylamino)-2,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(N(C)C)c(C)c(=O)[nH]1.
What is the InChIKey of 4-(dimethylamino)-2,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is GAQRLWZDSLOULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5-7(11(3)4)9-6(2)10-8(5)12/h1-4H3,(H,9,10,12).
What are the key properties of 4-(dimethylamino)-2,5-dimethyl-1H-pyrimidin-6-one?
4-(dimethylamino)-2,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 167.21 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 170231364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).