N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide

C22H23ClN4O — CID 109327800

IUPACN-[2-(4-chlorophenyl)ethyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCc1ccc(CNc2nc(C)cc(C(=O)NCCc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C22H23ClN4O/c1-15-3-5-18(6-4-15)14-25-22-26-16(2)13-20(27-22)21(28)24-12-11-17-7-9-19(23)10-8-17/h3-10,13H,11-12,14H2,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyFPTZCWCUHWQTLJ-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.33
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109327800) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109327800
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCc1ccc(CNc2nc(C)cc(C(=O)NCCc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C22H23ClN4O/c1-15-3-5-18(6-4-15)14-25-22-26-16(2)13-20(27-22)21(28)24-12-11-17-7-9-19(23)10-8-17/h3-10,13H,11-12,14H2,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyFPTZCWCUHWQTLJ-UHFFFAOYSA-N
XLogP4.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327781
N-[2-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328635
N-(4-chlorophenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327842
2-[(4-chlorophenyl)methylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109328971
N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323895
N-[(4-chlorophenyl)methyl]-6-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109329026
2-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328541
2-[2-(4-chlorophenyl)ethylamino]-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327477
2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328638
2-[(4-chlorophenyl)methylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319479
N-[(4-chlorophenyl)methyl]-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109329037
2-[2-(4-chlorophenyl)ethylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319503

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide (CID 109327800) is N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide is Cc1ccc(CNc2nc(C)cc(C(=O)NCCc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is FPTZCWCUHWQTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-15-3-5-18(6-4-15)14-25-22-26-16(2)13-20(27-22)21(28)24-12-11-17-7-9-19(23)10-8-17/h3-10,13H,11-12,14H2,1-2H3,(H,24,28)(H,25,26,27).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide has a molecular weight of 394.91 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109327800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).