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

C7H11N3O2 — CID 21415039

IUPAC2-(dimethylamino)-4-methoxy-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(N(C)C)n1
InChIInChI=1S/C7H11N3O2/c1-10(2)7-8-5(11)4-6(9-7)12-3/h4H,1-3H3,(H,8,9,11)
InChIKeyWQFQXYIDXCIQBF-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.16
Rot. Bonds2

About 2-(dimethylamino)-4-methoxy-1H-pyrimidin-6-one

2-(dimethylamino)-4-methoxy-1H-pyrimidin-6-one (PubChem CID 21415039) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(dimethylamino)-4-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-4-methoxy-1H-pyrimidin-6-one
PubChem CID21415039
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-(dimethylamino)-4-methoxy-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(N(C)C)n1
InChIInChI=1S/C7H11N3O2/c1-10(2)7-8-5(11)4-6(9-7)12-3/h4H,1-3H3,(H,8,9,11)
InChIKeyWQFQXYIDXCIQBF-UHFFFAOYSA-N
XLogP-0.16
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(dimethylamino)-4-methoxy-1H-pyrimidin-6-one (CID 21415039) is 2-(dimethylamino)-4-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dimethylamino)-4-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dimethylamino)-4-methoxy-1H-pyrimidin-6-one is COc1cc(=O)[nH]c(N(C)C)n1.
What is the InChIKey of 2-(dimethylamino)-4-methoxy-1H-pyrimidin-6-one?
The InChIKey is WQFQXYIDXCIQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-10(2)7-8-5(11)4-6(9-7)12-3/h4H,1-3H3,(H,8,9,11).
What are the key properties of 2-(dimethylamino)-4-methoxy-1H-pyrimidin-6-one?
2-(dimethylamino)-4-methoxy-1H-pyrimidin-6-one has a molecular weight of 169.18 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 21415039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).