methane;methyl 4-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate

C19H20ClN3O2 — CID 159961175

IUPACmethane;methyl 4-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate
SMILESC.COC(=O)C1=C(C)NC(c2ccccn2)=NC1c1ccccc1Cl
InChIInChI=1S/C18H16ClN3O2.CH4/c1-11-15(18(23)24-2)16(12-7-3-4-8-13(12)19)22-17(21-11)14-9-5-6-10-20-14;/h3-10,16H,1-2H3,(H,21,22);1H4
InChIKeyODIUOEDHNMNGHJ-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.91
Rot. Bonds3

About methane;methyl 4-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate

methane;methyl 4-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate (PubChem CID 159961175) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is methane;methyl 4-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethane;methyl 4-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate
PubChem CID159961175
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Namemethane;methyl 4-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate
SMILESC.COC(=O)C1=C(C)NC(c2ccccn2)=NC1c1ccccc1Cl
InChIInChI=1S/C18H16ClN3O2.CH4/c1-11-15(18(23)24-2)16(12-7-3-4-8-13(12)19)22-17(21-11)14-9-5-6-10-20-14;/h3-10,16H,1-2H3,(H,21,22);1H4
InChIKeyODIUOEDHNMNGHJ-UHFFFAOYSA-N
XLogP3.91
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(2-chloro-4-fluorophenyl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate
CID 22960864
methyl 4-(2-chlorophenyl)-6-[3-hydroxy-3-(4-hydroxyanilino)propyl]-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate
CID 148710138
4-(2-chlorophenyl)-6-methyl-5-(propylperoxymethyl)-2-pyridin-2-yl-1,4-dihydropyrimidine
CID 22960849
methyl 4-(2-chloro-4-fluorophenyl)-6-[(prop-2-ynylamino)methyl]-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate
CID 71494454
1-[4-(2-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]ethanone
CID 20626175
methyl 4-(2-chloro-4-fluorophenyl)-6-methyl-2-[5-(prop-2-ynylcarbamoyl)-2-pyridinyl]-1,4-dihydropyrimidine-5-carboxylate
CID 118287392
dimethyl 4-(2-chlorophenyl)-2-methyl-6-(pyrimidin-2-ylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 14569909
methyl (4S)-6-methyl-2-methylsulfanyl-4-(2-methylsulfanylphenyl)-1,4-dihydropyrimidine-5-carboxylate
CID 15758669
methyl (4S)-4-(2-chlorophenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 6549459
methyl 4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
CID 13276669
methyl (4S)-6-methyl-4-phenyl-2-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxylate
CID 124561522
ethyl 4-(2,4-dichlorophenyl)-6-methyl-2-(1,3-thiazol-4-yl)-1,4-dihydropyrimidine-5-carboxylate
CID 118107604

Frequently Asked Questions

What is the IUPAC name of methane;methyl 4-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate?
The IUPAC name of methane;methyl 4-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate (CID 159961175) is methane;methyl 4-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for methane;methyl 4-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate?
The canonical SMILES for methane;methyl 4-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate is C.COC(=O)C1=C(C)NC(c2ccccn2)=NC1c1ccccc1Cl.
What is the InChIKey of methane;methyl 4-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate?
The InChIKey is ODIUOEDHNMNGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2.CH4/c1-11-15(18(23)24-2)16(12-7-3-4-8-13(12)19)22-17(21-11)14-9-5-6-10-20-14;/h3-10,16H,1-2H3,(H,21,22);1H4.
What are the key properties of methane;methyl 4-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate?
methane;methyl 4-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate has a molecular weight of 357.84 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl 4-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 159961175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).