N-(2,4-dichlorophenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

C18H15Cl2N5O — CID 109329721

IUPACN-(2,4-dichlorophenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2Cl)nc(NCc2ccccn2)n1
InChIInChI=1S/C18H15Cl2N5O/c1-11-8-16(17(26)24-15-6-5-12(19)9-14(15)20)25-18(23-11)22-10-13-4-2-3-7-21-13/h2-9H,10H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyNSCOMCNGFHUQON-UHFFFAOYSA-N
MW388.26 g/mol
LogP4.35
Rot. Bonds5

About N-(2,4-dichlorophenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

N-(2,4-dichlorophenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109329721) has the molecular formula C18H15Cl2N5O and a molecular weight of 388.26 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109329721
Molecular FormulaC18H15Cl2N5O
Molecular Weight388.26 g/mol
Exact Mass387.07
IUPAC NameN-(2,4-dichlorophenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2Cl)nc(NCc2ccccn2)n1
InChIInChI=1S/C18H15Cl2N5O/c1-11-8-16(17(26)24-15-6-5-12(19)9-14(15)20)25-18(23-11)22-10-13-4-2-3-7-21-13/h2-9H,10H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyNSCOMCNGFHUQON-UHFFFAOYSA-N
XLogP4.35
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109370820
N-(2-ethoxyphenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329690
6-methyl-N-(4-propan-2-ylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329667
N-tert-butyl-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329638
N-(2,4-dichlorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120780
6-methyl-N-[(2-methylphenyl)methyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109327463
N-(2,4-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110864036
N'-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108502784
N-(2-chlorophenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329921
N-(2-chlorophenyl)-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320908
N-(5-chloro-2-methylphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109349631
N-(2,5-dichlorophenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide
CID 109326904

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109329721) is N-(2,4-dichlorophenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(Cl)cc2Cl)nc(NCc2ccccn2)n1.
What is the InChIKey of N-(2,4-dichlorophenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is NSCOMCNGFHUQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N5O/c1-11-8-16(17(26)24-15-6-5-12(19)9-14(15)20)25-18(23-11)22-10-13-4-2-3-7-21-13/h2-9H,10H2,1H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(2,4-dichlorophenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
N-(2,4-dichlorophenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 388.26 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109329721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).