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

C9H15N3O2 — CID 21415043

IUPAC2-(dimethylamino)-4-propoxy-1H-pyrimidin-6-one
SMILESCCCOc1cc(=O)[nH]c(N(C)C)n1
InChIInChI=1S/C9H15N3O2/c1-4-5-14-8-6-7(13)10-9(11-8)12(2)3/h6H,4-5H2,1-3H3,(H,10,11,13)
InChIKeyKXLGBKDLYIHFHZ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.62
Rot. Bonds4

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

2-(dimethylamino)-4-propoxy-1H-pyrimidin-6-one (PubChem CID 21415043) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(dimethylamino)-4-propoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-4-propoxy-1H-pyrimidin-6-one
PubChem CID21415043
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(dimethylamino)-4-propoxy-1H-pyrimidin-6-one
SMILESCCCOc1cc(=O)[nH]c(N(C)C)n1
InChIInChI=1S/C9H15N3O2/c1-4-5-14-8-6-7(13)10-9(11-8)12(2)3/h6H,4-5H2,1-3H3,(H,10,11,13)
InChIKeyKXLGBKDLYIHFHZ-UHFFFAOYSA-N
XLogP0.62
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-propoxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(dimethylamino)-4-propoxy-1H-pyrimidin-6-one (CID 21415043) is 2-(dimethylamino)-4-propoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dimethylamino)-4-propoxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dimethylamino)-4-propoxy-1H-pyrimidin-6-one is CCCOc1cc(=O)[nH]c(N(C)C)n1.
What is the InChIKey of 2-(dimethylamino)-4-propoxy-1H-pyrimidin-6-one?
The InChIKey is KXLGBKDLYIHFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-4-5-14-8-6-7(13)10-9(11-8)12(2)3/h6H,4-5H2,1-3H3,(H,10,11,13).
What are the key properties of 2-(dimethylamino)-4-propoxy-1H-pyrimidin-6-one?
2-(dimethylamino)-4-propoxy-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-propoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 21415043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).