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

C12H16F3N3O3 — CID 136908900

IUPAC3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESCc1nc(C)c(CCC(=O)NCC(O)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C12H16F3N3O3/c1-6-8(11(21)18-7(2)17-6)3-4-10(20)16-5-9(19)12(13,14)15/h9,19H,3-5H2,1-2H3,(H,16,20)(H,17,18,21)
InChIKeyPWLTUVUKMPIIQP-UHFFFAOYSA-N
MW307.27 g/mol
LogP0.36
Rot. Bonds5

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

3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (PubChem CID 136908900) has the molecular formula C12H16F3N3O3 and a molecular weight of 307.27 g/mol. Its IUPAC name is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
PubChem CID136908900
Molecular FormulaC12H16F3N3O3
Molecular Weight307.27 g/mol
Exact Mass307.11
IUPAC Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESCc1nc(C)c(CCC(=O)NCC(O)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C12H16F3N3O3/c1-6-8(11(21)18-7(2)17-6)3-4-10(20)16-5-9(19)12(13,14)15/h9,19H,3-5H2,1-2H3,(H,16,20)(H,17,18,21)
InChIKeyPWLTUVUKMPIIQP-UHFFFAOYSA-N
XLogP0.36
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Related Compounds

N-(2,2-difluoroethyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)propanamide
CID 136737790
N-(2,2-difluoro-3-hydroxypropyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 136785581
2,4-dimethyl-5-[1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]-1H-pyrimidin-6-one
CID 136790760
N-(3,3-difluoro-2-hydroxypropyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 136797850
5-[1-[(3,3-difluoro-2-hydroxypropyl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136948163
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxybutyl)propanamide
CID 135996448
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide
CID 135998948
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N,N-bis(2-hydroxyethyl)propanamide
CID 136033620
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-3-methoxypropyl)propanamide
CID 136059141
5-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136064452
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxybutan-2-yl)propanamide
CID 136070038
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxycyclohexyl)propanamide
CID 136070515

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (CID 136908900) is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.
What is the SMILES notation for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The canonical SMILES for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is Cc1nc(C)c(CCC(=O)NCC(O)C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The InChIKey is PWLTUVUKMPIIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O3/c1-6-8(11(21)18-7(2)17-6)3-4-10(20)16-5-9(19)12(13,14)15/h9,19H,3-5H2,1-2H3,(H,16,20)(H,17,18,21).
What are the key properties of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide has a molecular weight of 307.27 g/mol, XLogP of 0.36, 5 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-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is sourced from PubChem (CID 136908900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).