3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide

C14H23N3O4 — CID 135998948

IUPAC3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide
SMILESCOCC(O)CN(C)C(=O)CCc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C14H23N3O4/c1-9-12(14(20)16-10(2)15-9)5-6-13(19)17(3)7-11(18)8-21-4/h11,18H,5-8H2,1-4H3,(H,15,16,20)
InChIKeyDBBGZKDEORLCCY-UHFFFAOYSA-N
MW297.36 g/mol
LogP-0.21
Rot. Bonds7

About 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide

3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide (PubChem CID 135998948) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide
PubChem CID135998948
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide
SMILESCOCC(O)CN(C)C(=O)CCc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C14H23N3O4/c1-9-12(14(20)16-10(2)15-9)5-6-13(19)17(3)7-11(18)8-21-4/h11,18H,5-8H2,1-4H3,(H,15,16,20)
InChIKeyDBBGZKDEORLCCY-UHFFFAOYSA-N
XLogP-0.21
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide?
The IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide (CID 135998948) is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide.
What is the SMILES notation for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide?
The canonical SMILES for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide is COCC(O)CN(C)C(=O)CCc1c(C)nc(C)[nH]c1=O.
What is the InChIKey of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide?
The InChIKey is DBBGZKDEORLCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-9-12(14(20)16-10(2)15-9)5-6-13(19)17(3)7-11(18)8-21-4/h11,18H,5-8H2,1-4H3,(H,15,16,20).
What are the key properties of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide?
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide has a molecular weight of 297.36 g/mol, XLogP of -0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide is sourced from PubChem (CID 135998948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).