N-(2-chlorophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide

C15H18ClN5O — CID 109301147

IUPACN-(2-chlorophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
SMILESCN(C)CCNc1nccc(C(=O)Nc2ccccc2Cl)n1
InChIInChI=1S/C15H18ClN5O/c1-21(2)10-9-18-15-17-8-7-13(20-15)14(22)19-12-6-4-3-5-11(12)16/h3-8H,9-10H2,1-2H3,(H,19,22)(H,17,18,20)
InChIKeyBZGLZAPPIXXIFM-UHFFFAOYSA-N
MW319.80 g/mol
LogP2.36
Rot. Bonds6

About N-(2-chlorophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide

N-(2-chlorophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109301147) has the molecular formula C15H18ClN5O and a molecular weight of 319.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
PubChem CID109301147
Molecular FormulaC15H18ClN5O
Molecular Weight319.80 g/mol
Exact Mass319.12
IUPAC NameN-(2-chlorophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
SMILESCN(C)CCNc1nccc(C(=O)Nc2ccccc2Cl)n1
InChIInChI=1S/C15H18ClN5O/c1-21(2)10-9-18-15-17-8-7-13(20-15)14(22)19-12-6-4-3-5-11(12)16/h3-8H,9-10H2,1-2H3,(H,19,22)(H,17,18,20)
InChIKeyBZGLZAPPIXXIFM-UHFFFAOYSA-N
XLogP2.36
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299706
N-(2,6-diethylphenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109301141
2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109295333
N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109301195
2-[2-(dimethylamino)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109301059
N-cyclopropyl-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109295728
N-(3-chloro-2-methylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307803
2-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109301137
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109301218
N-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253571
6-N-(2-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096585
2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315594

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide (CID 109301147) is N-(2-chlorophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide is CN(C)CCNc1nccc(C(=O)Nc2ccccc2Cl)n1.
What is the InChIKey of N-(2-chlorophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is BZGLZAPPIXXIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O/c1-21(2)10-9-18-15-17-8-7-13(20-15)14(22)19-12-6-4-3-5-11(12)16/h3-8H,9-10H2,1-2H3,(H,19,22)(H,17,18,20).
What are the key properties of N-(2-chlorophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide?
N-(2-chlorophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide has a molecular weight of 319.80 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109301147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).