N-[6-oxo-2-(2-propoxyphenyl)-1H-pyrimidin-4-yl]propanamide

C16H19N3O3 — CID 135482146

IUPACN-[6-oxo-2-(2-propoxyphenyl)-1H-pyrimidin-4-yl]propanamide
SMILESCCCOc1ccccc1-c1nc(NC(=O)CC)cc(=O)[nH]1
InChIInChI=1S/C16H19N3O3/c1-3-9-22-12-8-6-5-7-11(12)16-18-13(10-15(21)19-16)17-14(20)4-2/h5-8,10H,3-4,9H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyZETXFHXJCYTTOB-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.57
Rot. Bonds6

About N-[6-oxo-2-(2-propoxyphenyl)-1H-pyrimidin-4-yl]propanamide

N-[6-oxo-2-(2-propoxyphenyl)-1H-pyrimidin-4-yl]propanamide (PubChem CID 135482146) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[6-oxo-2-(2-propoxyphenyl)-1H-pyrimidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[6-oxo-2-(2-propoxyphenyl)-1H-pyrimidin-4-yl]propanamide
PubChem CID135482146
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[6-oxo-2-(2-propoxyphenyl)-1H-pyrimidin-4-yl]propanamide
SMILESCCCOc1ccccc1-c1nc(NC(=O)CC)cc(=O)[nH]1
InChIInChI=1S/C16H19N3O3/c1-3-9-22-12-8-6-5-7-11(12)16-18-13(10-15(21)19-16)17-14(20)4-2/h5-8,10H,3-4,9H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyZETXFHXJCYTTOB-UHFFFAOYSA-N
XLogP2.57
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-propoxyphenyl)-4-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one
CID 135845406
6-(2-propoxyphenyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135456702
2-(2-propoxyphenyl)-3H-pteridin-4-one
CID 135670793
2-[2-(3-cyano-3-methylbutoxy)phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 175123901
2-methoxy-6-(2-propoxyphenyl)-1H-1,3,5-triazine-4-thione
CID 106521583
2-(ethoxymethyl)-4-(2-propoxyphenyl)-1H-pyrimidin-6-one
CID 136770120
2-(carbamoylamino)-5-(2-propoxyphenyl)-1H-pyrrole-3-carboxamide
CID 25007212
3-(methylamino)-6-(2-propoxyphenyl)-7H-pyrimido[4,5-e][1,2,4]triazin-8-one
CID 135670774
6-(2-propoxyphenyl)-7H-pyrimido[5,4-d]pyrimidin-8-one
CID 135559157
3-methyl-8-(2-propoxyphenyl)-6-propyl-9H-[1,2,4]triazolo[3,4-f]purin-5-one
CID 135788365
2-hydrazinyl-7-(2-propoxyphenyl)-6H-pyrimido[4,5-d]pyrimidin-5-one
CID 135670787
methyl [2-oxo-6-(2-propoxyphenyl)-1H-pyridin-3-yl] carbonate
CID 23167499

Frequently Asked Questions

What is the IUPAC name of N-[6-oxo-2-(2-propoxyphenyl)-1H-pyrimidin-4-yl]propanamide?
The IUPAC name of N-[6-oxo-2-(2-propoxyphenyl)-1H-pyrimidin-4-yl]propanamide (CID 135482146) is N-[6-oxo-2-(2-propoxyphenyl)-1H-pyrimidin-4-yl]propanamide.
What is the SMILES notation for N-[6-oxo-2-(2-propoxyphenyl)-1H-pyrimidin-4-yl]propanamide?
The canonical SMILES for N-[6-oxo-2-(2-propoxyphenyl)-1H-pyrimidin-4-yl]propanamide is CCCOc1ccccc1-c1nc(NC(=O)CC)cc(=O)[nH]1.
What is the InChIKey of N-[6-oxo-2-(2-propoxyphenyl)-1H-pyrimidin-4-yl]propanamide?
The InChIKey is ZETXFHXJCYTTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-3-9-22-12-8-6-5-7-11(12)16-18-13(10-15(21)19-16)17-14(20)4-2/h5-8,10H,3-4,9H2,1-2H3,(H2,17,18,19,20,21).
What are the key properties of N-[6-oxo-2-(2-propoxyphenyl)-1H-pyrimidin-4-yl]propanamide?
N-[6-oxo-2-(2-propoxyphenyl)-1H-pyrimidin-4-yl]propanamide has a molecular weight of 301.35 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-oxo-2-(2-propoxyphenyl)-1H-pyrimidin-4-yl]propanamide is sourced from PubChem (CID 135482146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).