methyl 2-[4-(4-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]acetate

C19H17ClFN3O2 — CID 71195522

IUPACmethyl 2-[4-(4-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]acetate
SMILESCOC(=O)CC1=C(C)NC(c2ncccc2F)=NC1c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClFN3O2/c1-11-14(10-16(25)26-2)17(12-5-7-13(20)8-6-12)24-19(23-11)18-15(21)4-3-9-22-18/h3-9,17H,10H2,1-2H3,(H,23,24)
InChIKeyFTEXWYUGLPUKGU-UHFFFAOYSA-N
MW373.82 g/mol
LogP3.80
Rot. Bonds4

About methyl 2-[4-(4-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]acetate

methyl 2-[4-(4-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]acetate (PubChem CID 71195522) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.82 g/mol. Its IUPAC name is methyl 2-[4-(4-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]acetate
PubChem CID71195522
Molecular FormulaC19H17ClFN3O2
Molecular Weight373.82 g/mol
Exact Mass373.10
IUPAC Namemethyl 2-[4-(4-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]acetate
SMILESCOC(=O)CC1=C(C)NC(c2ncccc2F)=NC1c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClFN3O2/c1-11-14(10-16(25)26-2)17(12-5-7-13(20)8-6-12)24-19(23-11)18-15(21)4-3-9-22-18/h3-9,17H,10H2,1-2H3,(H,23,24)
InChIKeyFTEXWYUGLPUKGU-UHFFFAOYSA-N
XLogP3.80
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-(4-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]acetate with MolForge

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Related Compounds

1-[4-(4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]-2-hydroxyethanone
CID 71022665
1-[4-(2-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]ethanone
CID 20626175
methyl 4-(4-chloro-3-nitrophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
CID 20626213
methyl 4-(2,4-dichlorophenyl)-6-(ethoxymethyl)-2-(3-fluoro-2-pyridinyl)-1,4-dihydropyrimidine-5-carboxylate
CID 142084886
ethyl 2-(3-fluoro-2-pyridinyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxylate
CID 20626182
methyl 4-(2,4-dichlorophenyl)-2-(3-fluoro-2-pyridinyl)-6-(morpholin-4-ylmethyl)-1,4-dihydropyrimidine-5-carboxylate
CID 10184235
ethyl 4-(2-chloro-4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate;3-fluoropyridine-2-carboximidamide;hydrochloride
CID 159801326
ethyl 4-(2-bromo-4-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-6-(2-methoxyethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate
CID 10119100
methyl 4-[(2-chloro-4-fluorophenyl)methyl]-2-(3-chloro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
CID 163628177
ethyl 4-(2-bromophenyl)-2-(3-fluoro-2-pyridinyl)-6-(methoxymethyl)-1,4-dihydropyrimidine-5-carboxylate
CID 142084852
methyl 4-(2-chloro-4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-6-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]-1,4-dihydropyrimidine-5-carboxylate
CID 142084953
ethyl 2-[4-(2,4-dichlorophenyl)-6-methyl-2-(1,3-oxazol-2-yl)-1,4-dihydropyrimidin-5-yl]acetate
CID 141192640

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]acetate?
The IUPAC name of methyl 2-[4-(4-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]acetate (CID 71195522) is methyl 2-[4-(4-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]acetate.
What is the SMILES notation for methyl 2-[4-(4-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]acetate?
The canonical SMILES for methyl 2-[4-(4-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]acetate is COC(=O)CC1=C(C)NC(c2ncccc2F)=NC1c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[4-(4-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]acetate?
The InChIKey is FTEXWYUGLPUKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O2/c1-11-14(10-16(25)26-2)17(12-5-7-13(20)8-6-12)24-19(23-11)18-15(21)4-3-9-22-18/h3-9,17H,10H2,1-2H3,(H,23,24).
What are the key properties of methyl 2-[4-(4-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]acetate?
methyl 2-[4-(4-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]acetate has a molecular weight of 373.82 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]acetate is sourced from PubChem (CID 71195522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).