2-[(2-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide

C21H21ClN4O — CID 109305794

IUPAC2-[(2-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccnc(NCc2ccccc2Cl)n1
InChIInChI=1S/C21H21ClN4O/c1-14(2)16-8-4-6-10-18(16)25-20(27)19-11-12-23-21(26-19)24-13-15-7-3-5-9-17(15)22/h3-12,14H,13H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyUIIFOHSLVIMYPI-UHFFFAOYSA-N
MW380.88 g/mol
LogP5.12
Rot. Bonds6

About 2-[(2-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide

2-[(2-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109305794) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109305794
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC Name2-[(2-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccnc(NCc2ccccc2Cl)n1
InChIInChI=1S/C21H21ClN4O/c1-14(2)16-8-4-6-10-18(16)25-20(27)19-11-12-23-21(26-19)24-13-15-7-3-5-9-17(15)22/h3-12,14H,13H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyUIIFOHSLVIMYPI-UHFFFAOYSA-N
XLogP5.12
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.88
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109303969
2-[(2-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 109305799
2-[(2-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109305785
2-[(2-chlorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109305838
N-(2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303953
N-(3-acetamidophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109305822
2-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109305811
4-N-[(2-chlorophenyl)methyl]-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112891701
2-(4-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109314007
N-(2,3-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303964
2-(2-cyanoanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109316079
2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315594

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide (CID 109305794) is 2-[(2-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide is CC(C)c1ccccc1NC(=O)c1ccnc(NCc2ccccc2Cl)n1.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is UIIFOHSLVIMYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-14(2)16-8-4-6-10-18(16)25-20(27)19-11-12-23-21(26-19)24-13-15-7-3-5-9-17(15)22/h3-12,14H,13H2,1-2H3,(H,25,27)(H,23,24,26).
What are the key properties of 2-[(2-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
2-[(2-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109305794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).