4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide

C21H20Cl2N4O — CID 161137861

IUPAC4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide
SMILESCc1c(Cl)cc(Cl)cc1-c1cc(CCCc2ccc(C(N)=O)cc2)nc(N)n1
InChIInChI=1S/C21H20Cl2N4O/c1-12-17(9-15(22)10-18(12)23)19-11-16(26-21(25)27-19)4-2-3-13-5-7-14(8-6-13)20(24)28/h5-11H,2-4H2,1H3,(H2,24,28)(H2,25,26,27)
InChIKeyWJLYGJLIIXPBNM-UHFFFAOYSA-N
MW415.32 g/mol
LogP4.62
Rot. Bonds6

About 4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide

4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide (PubChem CID 161137861) has the molecular formula C21H20Cl2N4O and a molecular weight of 415.32 g/mol. Its IUPAC name is 4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide.

Molecular Properties

Compound Name4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide
PubChem CID161137861
Molecular FormulaC21H20Cl2N4O
Molecular Weight415.32 g/mol
Exact Mass414.10
IUPAC Name4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide
SMILESCc1c(Cl)cc(Cl)cc1-c1cc(CCCc2ccc(C(N)=O)cc2)nc(N)n1
InChIInChI=1S/C21H20Cl2N4O/c1-12-17(9-15(22)10-18(12)23)19-11-16(26-21(25)27-19)4-2-3-13-5-7-14(8-6-13)20(24)28/h5-11H,2-4H2,1H3,(H2,24,28)(H2,25,26,27)
InChIKeyWJLYGJLIIXPBNM-UHFFFAOYSA-N
XLogP4.62
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide 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-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide
CID 159279676
4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]benzamide
CID 118559339
4-[2-[[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 118559221
4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide
CID 157412886
4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide
CID 157050203
3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide
CID 118559286
4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide
CID 118559395
4-[2-(4-carbamoylphenyl)ethyl]benzamide
CID 14507735
4-[(3,4-dichloroanilino)methyl]benzamide
CID 28577960
1-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea
CID 118559510
4-octylbenzamide;hydrochloride
CID 131740255
2,2-dimethylpropyl N-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate
CID 118559536

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide?
The IUPAC name of 4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide (CID 161137861) is 4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide.
What is the SMILES notation for 4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide?
The canonical SMILES for 4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide is Cc1c(Cl)cc(Cl)cc1-c1cc(CCCc2ccc(C(N)=O)cc2)nc(N)n1.
What is the InChIKey of 4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide?
The InChIKey is WJLYGJLIIXPBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O/c1-12-17(9-15(22)10-18(12)23)19-11-16(26-21(25)27-19)4-2-3-13-5-7-14(8-6-13)20(24)28/h5-11H,2-4H2,1H3,(H2,24,28)(H2,25,26,27).
What are the key properties of 4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide?
4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide has a molecular weight of 415.32 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide is sourced from PubChem (CID 161137861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).