5-butyl-2-(dimethylamino)-1H-pyrimidin-6-one

C10H17N3O — CID 141231213

IUPAC5-butyl-2-(dimethylamino)-1H-pyrimidin-6-one
SMILESCCCCc1cnc(N(C)C)[nH]c1=O
InChIInChI=1S/C10H17N3O/c1-4-5-6-8-7-11-10(13(2)3)12-9(8)14/h7H,4-6H2,1-3H3,(H,11,12,14)
InChIKeyBFPIOSGIZOZTOB-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.18
Rot. Bonds4

About 5-butyl-2-(dimethylamino)-1H-pyrimidin-6-one

5-butyl-2-(dimethylamino)-1H-pyrimidin-6-one (PubChem CID 141231213) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-butyl-2-(dimethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-butyl-2-(dimethylamino)-1H-pyrimidin-6-one
PubChem CID141231213
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-butyl-2-(dimethylamino)-1H-pyrimidin-6-one
SMILESCCCCc1cnc(N(C)C)[nH]c1=O
InChIInChI=1S/C10H17N3O/c1-4-5-6-8-7-11-10(13(2)3)12-9(8)14/h7H,4-6H2,1-3H3,(H,11,12,14)
InChIKeyBFPIOSGIZOZTOB-UHFFFAOYSA-N
XLogP1.18
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(dimethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-butyl-2-(dimethylamino)-1H-pyrimidin-6-one (CID 141231213) is 5-butyl-2-(dimethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-butyl-2-(dimethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-butyl-2-(dimethylamino)-1H-pyrimidin-6-one is CCCCc1cnc(N(C)C)[nH]c1=O.
What is the InChIKey of 5-butyl-2-(dimethylamino)-1H-pyrimidin-6-one?
The InChIKey is BFPIOSGIZOZTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-5-6-8-7-11-10(13(2)3)12-9(8)14/h7H,4-6H2,1-3H3,(H,11,12,14).
What are the key properties of 5-butyl-2-(dimethylamino)-1H-pyrimidin-6-one?
5-butyl-2-(dimethylamino)-1H-pyrimidin-6-one has a molecular weight of 195.27 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(dimethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 141231213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).