N-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide

C16H20ClN5O — CID 109253571

IUPACN-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
SMILESCN(C)CCCNc1ncc(C(=O)Nc2ccccc2Cl)cn1
InChIInChI=1S/C16H20ClN5O/c1-22(2)9-5-8-18-16-19-10-12(11-20-16)15(23)21-14-7-4-3-6-13(14)17/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,21,23)(H,18,19,20)
InChIKeyZYQWUBHCQUUQBW-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.75
Rot. Bonds7

About N-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide

N-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide (PubChem CID 109253571) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
PubChem CID109253571
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC NameN-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
SMILESCN(C)CCCNc1ncc(C(=O)Nc2ccccc2Cl)cn1
InChIInChI=1S/C16H20ClN5O/c1-22(2)9-5-8-18-16-19-10-12(11-20-16)15(23)21-14-7-4-3-6-13(14)17/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,21,23)(H,18,19,20)
InChIKeyZYQWUBHCQUUQBW-UHFFFAOYSA-N
XLogP2.75
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(dimethylamino)propylamino]-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109253558
N-(2-chlorophenyl)-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
CID 109277995
N-(3-chloro-4-methylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253577
2-[3-(dimethylamino)propylamino]-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109253552
N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257535
2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide
CID 109255455
N-(4-acetylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253599
N-(4-tert-butylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253568
2-[2-(dimethylamino)ethylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109252945
N-(2,3-dichlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263849
6-N-(2-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096585
N-(2-chlorophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256282

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide (CID 109253571) is N-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide is CN(C)CCCNc1ncc(C(=O)Nc2ccccc2Cl)cn1.
What is the InChIKey of N-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide?
The InChIKey is ZYQWUBHCQUUQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-22(2)9-5-8-18-16-19-10-12(11-20-16)15(23)21-14-7-4-3-6-13(14)17/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,21,23)(H,18,19,20).
What are the key properties of N-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide?
N-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109253571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).