2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one

C17H17Cl2N3O2 — CID 70740218

IUPAC2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCC1CCCN1C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O
InChIInChI=1S/C17H17Cl2N3O2/c1-10-4-3-7-22(10)17(24)12-9-20-15(21-16(12)23)8-11-13(18)5-2-6-14(11)19/h2,5-6,9-10H,3-4,7-8H2,1H3,(H,20,21,23)
InChIKeyCJILNVNHZVOPPI-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.29
Rot. Bonds3

About 2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one

2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 70740218) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID70740218
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCC1CCCN1C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O
InChIInChI=1S/C17H17Cl2N3O2/c1-10-4-3-7-22(10)17(24)12-9-20-15(21-16(12)23)8-11-13(18)5-2-6-14(11)19/h2,5-6,9-10H,3-4,7-8H2,1H3,(H,20,21,23)
InChIKeyCJILNVNHZVOPPI-UHFFFAOYSA-N
XLogP3.29
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,6-dichlorophenyl)methyl]-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 70734474
2-[(2,6-dichlorophenyl)methyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyrimidin-6-one
CID 70714841
(2,5-dichloro-4-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone
CID 114917342
2-[(2,6-dichlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 70754474
[5-chloro-2-(ethylamino)-4-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 114921368
6-ethyl-5-methyl-3-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 125483849
5-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-2-(phenoxymethyl)-1H-pyrimidin-6-one
CID 97134913
[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578
3-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 95976883
[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 58924813
(6-chloro-2-methyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 24885199
2-(2-chloro-6-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 25252634

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one (CID 70740218) is 2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one is CC1CCCN1C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is CJILNVNHZVOPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-10-4-3-7-22(10)17(24)12-9-20-15(21-16(12)23)8-11-13(18)5-2-6-14(11)19/h2,5-6,9-10H,3-4,7-8H2,1H3,(H,20,21,23).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one?
2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 366.25 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 70740218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).