N-[2-(4-chlorophenyl)ethyl]-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide

C21H21ClN4O — CID 109255694

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCc1ccccc1CNc1ncc(C(=O)NCCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C21H21ClN4O/c1-15-4-2-3-5-17(15)12-24-21-25-13-18(14-26-21)20(27)23-11-10-16-6-8-19(22)9-7-16/h2-9,13-14H,10-12H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyPAARDZBBMHGGRS-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.02
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide

N-[2-(4-chlorophenyl)ethyl]-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide (PubChem CID 109255694) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide
PubChem CID109255694
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCc1ccccc1CNc1ncc(C(=O)NCCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C21H21ClN4O/c1-15-4-2-3-5-17(15)12-24-21-25-13-18(14-26-21)20(27)23-11-10-16-6-8-19(22)9-7-16/h2-9,13-14H,10-12H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyPAARDZBBMHGGRS-UHFFFAOYSA-N
XLogP4.02
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257024
2-[(2-chlorophenyl)methylamino]-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109257489
N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109261399
N-[2-(4-chlorophenyl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118017
2-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide
CID 109246522
2-(2-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109261408
N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255747
4-[2-(benzylamino)pyrimidin-5-yl]-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 53108683
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
N-[2-(4-fluorophenyl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188263
N-[2-(3-chlorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256254
2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255380

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide (CID 109255694) is N-[2-(4-chlorophenyl)ethyl]-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide is Cc1ccccc1CNc1ncc(C(=O)NCCc2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The InChIKey is PAARDZBBMHGGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-15-4-2-3-5-17(15)12-24-21-25-13-18(14-26-21)20(27)23-11-10-16-6-8-19(22)9-7-16/h2-9,13-14H,10-12H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.02, 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]-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109255694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).