2-chloro-N,N-dimethyl-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide

C20H18ClN5O — CID 155780337

IUPAC2-chloro-N,N-dimethyl-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide
SMILESCN(C)C(=O)c1cc(C2CC2c2cnc(-c3ncccn3)nc2)ccc1Cl
InChIInChI=1S/C20H18ClN5O/c1-26(2)20(27)16-8-12(4-5-17(16)21)14-9-15(14)13-10-24-19(25-11-13)18-22-6-3-7-23-18/h3-8,10-11,14-15H,9H2,1-2H3
InChIKeyCPPTYCXUPNUMAO-UHFFFAOYSA-N
MW379.85 g/mol
LogP3.56
Rot. Bonds4

About 2-chloro-N,N-dimethyl-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide

2-chloro-N,N-dimethyl-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide (PubChem CID 155780337) has the molecular formula C20H18ClN5O and a molecular weight of 379.85 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide
PubChem CID155780337
Molecular FormulaC20H18ClN5O
Molecular Weight379.85 g/mol
Exact Mass379.12
IUPAC Name2-chloro-N,N-dimethyl-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide
SMILESCN(C)C(=O)c1cc(C2CC2c2cnc(-c3ncccn3)nc2)ccc1Cl
InChIInChI=1S/C20H18ClN5O/c1-26(2)20(27)16-8-12(4-5-17(16)21)14-9-15(14)13-10-24-19(25-11-13)18-22-6-3-7-23-18/h3-8,10-11,14-15H,9H2,1-2H3
InChIKeyCPPTYCXUPNUMAO-UHFFFAOYSA-N
XLogP3.56
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-methyl-5-[(1R,2R)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide
CID 155780354
5-[2-(4-chloro-3-nitrophenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 167407850
5-[(1R,2R)-2-(4-chloro-2,3-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155779917
5-[(1R,2R)-2-(4-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155779965
5-[(1R,2R)-2-[4-fluoro-3-(4-methylsulfonylpiperazin-1-yl)phenyl]cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155780084
trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 95247432
2-(dimethylamino)-N,N-dimethylpyridine-3-carboxamide
CID 53015798
2-chloro-N,N-dimethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
CID 60940622
3-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119718964
4-cyclopropyl-N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methylbenzamide
CID 68935262
2,5-dichloro-N-methyl-N-pyridin-4-ylpyridine-4-carboxamide
CID 106934917
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide?
The IUPAC name of 2-chloro-N,N-dimethyl-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide (CID 155780337) is 2-chloro-N,N-dimethyl-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide is CN(C)C(=O)c1cc(C2CC2c2cnc(-c3ncccn3)nc2)ccc1Cl.
What is the InChIKey of 2-chloro-N,N-dimethyl-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide?
The InChIKey is CPPTYCXUPNUMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O/c1-26(2)20(27)16-8-12(4-5-17(16)21)14-9-15(14)13-10-24-19(25-11-13)18-22-6-3-7-23-18/h3-8,10-11,14-15H,9H2,1-2H3.
What are the key properties of 2-chloro-N,N-dimethyl-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide?
2-chloro-N,N-dimethyl-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide has a molecular weight of 379.85 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide is sourced from PubChem (CID 155780337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).