5-chloro-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]pyrimidine-2,4-dione

C15H14ClFN2O2 — CID 141079812

IUPAC5-chloro-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]pyrimidine-2,4-dione
SMILESO=c1c(Cl)cn(CC2CC2)c(=O)n1Cc1ccccc1F
InChIInChI=1S/C15H14ClFN2O2/c16-12-9-18(7-10-5-6-10)15(21)19(14(12)20)8-11-3-1-2-4-13(11)17/h1-4,9-10H,5-8H2
InChIKeyJRAITLSTFUIWCA-UHFFFAOYSA-N
MW308.74 g/mol
LogP2.26
Rot. Bonds4

About 5-chloro-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]pyrimidine-2,4-dione

5-chloro-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]pyrimidine-2,4-dione (PubChem CID 141079812) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 5-chloro-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]pyrimidine-2,4-dione
PubChem CID141079812
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name5-chloro-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]pyrimidine-2,4-dione
SMILESO=c1c(Cl)cn(CC2CC2)c(=O)n1Cc1ccccc1F
InChIInChI=1S/C15H14ClFN2O2/c16-12-9-18(7-10-5-6-10)15(21)19(14(12)20)8-11-3-1-2-4-13(11)17/h1-4,9-10H,5-8H2
InChIKeyJRAITLSTFUIWCA-UHFFFAOYSA-N
XLogP2.26
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-[(2-fluorophenyl)methyl]-5-iodopyrimidine-2,4-dione
CID 79788186
8-[(3-aminophenyl)methyl]-3-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]-7H-purine-2,6-dione
CID 69115150
3-[(2-chlorophenyl)methyl]-5-fluoro-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione
CID 911393
1-[(2-fluorophenyl)methyl]-3-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 20952432
3-benzyl-1-[(2-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 41233378
3-[[(2-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270976
2-(3-chloro-4-methylphenyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
CID 46003740
4-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine;oxalic acid
CID 163326693
3-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]-8-[[4-[hydroxy(oxomethyl)amino]phenyl]methyl]-7H-purine-2,6-dione;rhodium
CID 163437744
3-chloro-1-[(2-fluorophenyl)methyl]pyrazin-2-one
CID 114561555
5,6-dichloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
CID 114583259
4,5-dichloro-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 2736823

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]pyrimidine-2,4-dione (CID 141079812) is 5-chloro-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]pyrimidine-2,4-dione is O=c1c(Cl)cn(CC2CC2)c(=O)n1Cc1ccccc1F.
What is the InChIKey of 5-chloro-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is JRAITLSTFUIWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c16-12-9-18(7-10-5-6-10)15(21)19(14(12)20)8-11-3-1-2-4-13(11)17/h1-4,9-10H,5-8H2.
What are the key properties of 5-chloro-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]pyrimidine-2,4-dione?
5-chloro-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 308.74 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 141079812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).