3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenyl)propyl]propanamide

C18H22FN3O2 — CID 131891594

IUPAC3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenyl)propyl]propanamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)NCCCc1ccccc1F
InChIInChI=1S/C18H22FN3O2/c1-12-15(13(2)22-18(24)21-12)9-10-17(23)20-11-5-7-14-6-3-4-8-16(14)19/h3-4,6,8H,5,7,9-11H2,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyVVBDDWNPIDUGMB-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.21
Rot. Bonds7

About 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenyl)propyl]propanamide

3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenyl)propyl]propanamide (PubChem CID 131891594) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenyl)propyl]propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenyl)propyl]propanamide
PubChem CID131891594
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenyl)propyl]propanamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)NCCCc1ccccc1F
InChIInChI=1S/C18H22FN3O2/c1-12-15(13(2)22-18(24)21-12)9-10-17(23)20-11-5-7-14-6-3-4-8-16(14)19/h3-4,6,8H,5,7,9-11H2,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyVVBDDWNPIDUGMB-UHFFFAOYSA-N
XLogP2.21
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide
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3-(2-fluorophenyl)-N-pentylpropanamide
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CID 90647550
N-[3-(2-fluorophenyl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 131892196
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)acetamide
CID 43500358
N-(4-acetamidobutyl)-4-(2-fluorophenyl)butanamide
CID 110609858
N-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332712
N-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)butanamide
CID 110408284
N-[2-(1-benzylpiperidin-2-yl)ethyl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenyl)propyl]propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenyl)propyl]propanamide (CID 131891594) is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenyl)propyl]propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenyl)propyl]propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenyl)propyl]propanamide is Cc1nc(=O)[nH]c(C)c1CCC(=O)NCCCc1ccccc1F.
What is the InChIKey of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenyl)propyl]propanamide?
The InChIKey is VVBDDWNPIDUGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-12-15(13(2)22-18(24)21-12)9-10-17(23)20-11-5-7-14-6-3-4-8-16(14)19/h3-4,6,8H,5,7,9-11H2,1-2H3,(H,20,23)(H,21,22,24).
What are the key properties of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenyl)propyl]propanamide?
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenyl)propyl]propanamide has a molecular weight of 331.39 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenyl)propyl]propanamide is sourced from PubChem (CID 131891594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).