3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxybutyl)propanamide

C13H21N3O3 — CID 135996448

IUPAC3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxybutyl)propanamide
SMILESCc1nc(C)c(CCC(=O)NCCC(C)O)c(=O)[nH]1
InChIInChI=1S/C13H21N3O3/c1-8(17)6-7-14-12(18)5-4-11-9(2)15-10(3)16-13(11)19/h8,17H,4-7H2,1-3H3,(H,14,18)(H,15,16,19)
InChIKeyDGWSYBKQQXTENR-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.21
Rot. Bonds6

About 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxybutyl)propanamide

3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxybutyl)propanamide (PubChem CID 135996448) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxybutyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxybutyl)propanamide
PubChem CID135996448
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxybutyl)propanamide
SMILESCc1nc(C)c(CCC(=O)NCCC(C)O)c(=O)[nH]1
InChIInChI=1S/C13H21N3O3/c1-8(17)6-7-14-12(18)5-4-11-9(2)15-10(3)16-13(11)19/h8,17H,4-7H2,1-3H3,(H,14,18)(H,15,16,19)
InChIKeyDGWSYBKQQXTENR-UHFFFAOYSA-N
XLogP0.21
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxybutyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxybutyl)propanamide?
The IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxybutyl)propanamide (CID 135996448) is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxybutyl)propanamide.
What is the SMILES notation for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxybutyl)propanamide?
The canonical SMILES for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxybutyl)propanamide is Cc1nc(C)c(CCC(=O)NCCC(C)O)c(=O)[nH]1.
What is the InChIKey of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxybutyl)propanamide?
The InChIKey is DGWSYBKQQXTENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-8(17)6-7-14-12(18)5-4-11-9(2)15-10(3)16-13(11)19/h8,17H,4-7H2,1-3H3,(H,14,18)(H,15,16,19).
What are the key properties of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxybutyl)propanamide?
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxybutyl)propanamide has a molecular weight of 267.33 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxybutyl)propanamide is sourced from PubChem (CID 135996448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).