N-[(2-chlorophenyl)methyl]-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide

C17H22ClN5O — CID 109366003

IUPACN-[(2-chlorophenyl)methyl]-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NCCN(C)C)cc(C(=O)NCc2ccccc2Cl)n1
InChIInChI=1S/C17H22ClN5O/c1-12-21-15(10-16(22-12)19-8-9-23(2)3)17(24)20-11-13-6-4-5-7-14(13)18/h4-7,10H,8-9,11H2,1-3H3,(H,20,24)(H,19,21,22)
InChIKeyAAJMDNAZCDWZMI-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.34
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide

N-[(2-chlorophenyl)methyl]-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide (PubChem CID 109366003) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide
PubChem CID109366003
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC NameN-[(2-chlorophenyl)methyl]-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NCCN(C)C)cc(C(=O)NCc2ccccc2Cl)n1
InChIInChI=1S/C17H22ClN5O/c1-12-21-15(10-16(22-12)19-8-9-23(2)3)17(24)20-11-13-6-4-5-7-14(13)18/h4-7,10H,8-9,11H2,1-3H3,(H,20,24)(H,19,21,22)
InChIKeyAAJMDNAZCDWZMI-UHFFFAOYSA-N
XLogP2.34
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(dimethylamino)ethylamino]-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109365996
6-[(2-chlorophenyl)methylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 109369963
N-[2-(dimethylamino)ethyl]-6-[2-(2-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109366189
N-[(2-chlorophenyl)methyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115796
6-[3-(dimethylamino)propylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109366614
6-(2-methoxyethylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109364632
N-[(2-chlorophenyl)methyl]-6-(2,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109370065
N-[2-(dimethylamino)ethyl]-2-methyl-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109366171
6-[(2-chlorophenyl)methylamino]-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109369971
N-(3-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109366096
6-(2-chloroanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369705
6-[2-(dimethylamino)ethylamino]-2-methyl-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109366141

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide (CID 109366003) is N-[(2-chlorophenyl)methyl]-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide is Cc1nc(NCCN(C)C)cc(C(=O)NCc2ccccc2Cl)n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide?
The InChIKey is AAJMDNAZCDWZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O/c1-12-21-15(10-16(22-12)19-8-9-23(2)3)17(24)20-11-13-6-4-5-7-14(13)18/h4-7,10H,8-9,11H2,1-3H3,(H,20,24)(H,19,21,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109366003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).