2-[6-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one

C23H26ClN5O — CID 137251167

IUPAC2-[6-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(NCC3CCN(c4cc(Cl)ccc4C)C3)nc2)n1
InChIInChI=1S/C23H26ClN5O/c1-3-19-11-22(30)28-23(27-19)17-5-7-21(26-13-17)25-12-16-8-9-29(14-16)20-10-18(24)6-4-15(20)2/h4-7,10-11,13,16H,3,8-9,12,14H2,1-2H3,(H,25,26)(H,27,28,30)
InChIKeyRVYQTEYDJGLWEK-UHFFFAOYSA-N
MW423.95 g/mol
LogP4.29
Rot. Bonds6

About 2-[6-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one

2-[6-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one (PubChem CID 137251167) has the molecular formula C23H26ClN5O and a molecular weight of 423.95 g/mol. Its IUPAC name is 2-[6-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
PubChem CID137251167
Molecular FormulaC23H26ClN5O
Molecular Weight423.95 g/mol
Exact Mass423.18
IUPAC Name2-[6-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(NCC3CCN(c4cc(Cl)ccc4C)C3)nc2)n1
InChIInChI=1S/C23H26ClN5O/c1-3-19-11-22(30)28-23(27-19)17-5-7-21(26-13-17)25-12-16-8-9-29(14-16)20-10-18(24)6-4-15(20)2/h4-7,10-11,13,16H,3,8-9,12,14H2,1-2H3,(H,25,26)(H,27,28,30)
InChIKeyRVYQTEYDJGLWEK-UHFFFAOYSA-N
XLogP4.29
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.95
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[6-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-2-[6-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 136667097
2-[6-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137268747
2-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methylamino]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133275214
6-chloro-4-N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine
CID 133275239
4-ethyl-2-[6-[2-[(2S)-oxolan-2-yl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 136714200
4-ethyl-2-[6-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137264948
2-[6-(1,4-dithian-2-ylmethylamino)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137271811
2-[6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137268371
4,5-dimethyl-2-[6-[(1-phenylpyrrolidin-3-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137268074
3-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]propanoic acid
CID 137098040
2-[6-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137258212
2-[6-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137272392

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one (CID 137251167) is 2-[6-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2ccc(NCC3CCN(c4cc(Cl)ccc4C)C3)nc2)n1.
What is the InChIKey of 2-[6-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is RVYQTEYDJGLWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O/c1-3-19-11-22(30)28-23(27-19)17-5-7-21(26-13-17)25-12-16-8-9-29(14-16)20-10-18(24)6-4-15(20)2/h4-7,10-11,13,16H,3,8-9,12,14H2,1-2H3,(H,25,26)(H,27,28,30).
What are the key properties of 2-[6-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
2-[6-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 423.95 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137251167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).