4-[4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide

C24H26ClN5O — CID 92616635

IUPAC4-[4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide
SMILESCN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCCN2Cc2ccccc2Cl)n1
InChIInChI=1S/C24H26ClN5O/c1-29(2)24-27-14-19(16-9-11-17(12-10-16)23(26)31)22(28-24)21-8-5-13-30(21)15-18-6-3-4-7-20(18)25/h3-4,6-7,9-12,14,21H,5,8,13,15H2,1-2H3,(H2,26,31)/t21-/m0/s1
InChIKeyXWTQNDQEODHYAF-NRFANRHFSA-N
MW435.96 g/mol
LogP4.30
Rot. Bonds6

About 4-[4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide

4-[4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide (PubChem CID 92616635) has the molecular formula C24H26ClN5O and a molecular weight of 435.96 g/mol. Its IUPAC name is 4-[4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-[4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide
PubChem CID92616635
Molecular FormulaC24H26ClN5O
Molecular Weight435.96 g/mol
Exact Mass435.18
IUPAC Name4-[4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide
SMILESCN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCCN2Cc2ccccc2Cl)n1
InChIInChI=1S/C24H26ClN5O/c1-29(2)24-27-14-19(16-9-11-17(12-10-16)23(26)31)22(28-24)21-8-5-13-30(21)15-18-6-3-4-7-20(18)25/h3-4,6-7,9-12,14,21H,5,8,13,15H2,1-2H3,(H2,26,31)/t21-/m0/s1
InChIKeyXWTQNDQEODHYAF-NRFANRHFSA-N
XLogP4.30
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(dimethylamino)-4-[(2R)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrimidin-5-yl]benzamide
CID 92616642
4-[2-(dimethylamino)-4-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 92618065
3-[2-(dimethylamino)-4-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]pyrimidin-5-yl]benzamide
CID 110266291
4-[2-(dimethylamino)-4-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]benzamide
CID 92616119
4-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N,N-dimethyl-5-phenylpyrimidin-2-amine
CID 92616640
5-(4-chlorophenyl)-4-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N,N-dimethylpyrimidin-2-amine
CID 110266137
4-[2-(dimethylamino)-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 92618063
4-[4-[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide
CID 92617488
5-(4-chlorophenyl)-N,N-dimethyl-4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine
CID 110266191
4-[(2S)-1-benzylpyrrolidin-2-yl]-5-(3-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 95836542
4-[4-[1-(2-cyclopentylacetyl)piperidin-3-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide
CID 110266504
3-[2-(dimethylamino)-4-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide
CID 110122693

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide?
The IUPAC name of 4-[4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide (CID 92616635) is 4-[4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-[4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide?
The canonical SMILES for 4-[4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide is CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCCN2Cc2ccccc2Cl)n1.
What is the InChIKey of 4-[4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide?
The InChIKey is XWTQNDQEODHYAF-NRFANRHFSA-N. The full InChI is InChI=1S/C24H26ClN5O/c1-29(2)24-27-14-19(16-9-11-17(12-10-16)23(26)31)22(28-24)21-8-5-13-30(21)15-18-6-3-4-7-20(18)25/h3-4,6-7,9-12,14,21H,5,8,13,15H2,1-2H3,(H2,26,31)/t21-/m0/s1.
What are the key properties of 4-[4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide?
4-[4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide has a molecular weight of 435.96 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 92616635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).