6-methyl-2-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide

C23H21N5O — CID 109327440

IUPAC6-methyl-2-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc3cccnc23)nc(NCc2ccccc2C)n1
InChIInChI=1S/C23H21N5O/c1-15-7-3-4-8-18(15)14-25-23-26-16(2)13-20(28-23)22(29)27-19-11-5-9-17-10-6-12-24-21(17)19/h3-13H,14H2,1-2H3,(H,27,29)(H,25,26,28)
InChIKeyLHCROWUIGLPLFH-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.51
Rot. Bonds5

About 6-methyl-2-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide

6-methyl-2-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide (PubChem CID 109327440) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 6-methyl-2-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
PubChem CID109327440
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name6-methyl-2-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc3cccnc23)nc(NCc2ccccc2C)n1
InChIInChI=1S/C23H21N5O/c1-15-7-3-4-8-18(15)14-25-23-26-16(2)13-20(28-23)22(29)27-19-11-5-9-17-10-6-12-24-21(17)19/h3-13H,14H2,1-2H3,(H,27,29)(H,25,26,28)
InChIKeyLHCROWUIGLPLFH-UHFFFAOYSA-N
XLogP4.51
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-(2-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109334786
N-(2-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327397
N-(2-fluorophenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327406
5-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109280202
6-methyl-2-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109319423
6-methyl-2-(2-morpholin-4-ylethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109325286
N-(3-fluorophenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327437
N-(4-tert-butylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327405
N-(2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303953
6-methyl-N-[(2-methylphenyl)methyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109327463
N-(4-acetylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327430
N-(4-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327398

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide (CID 109327440) is 6-methyl-2-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2cccc3cccnc23)nc(NCc2ccccc2C)n1.
What is the InChIKey of 6-methyl-2-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide?
The InChIKey is LHCROWUIGLPLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-15-7-3-4-8-18(15)14-25-23-26-16(2)13-20(28-23)22(29)27-19-11-5-9-17-10-6-12-24-21(17)19/h3-13H,14H2,1-2H3,(H,27,29)(H,25,26,28).
What are the key properties of 6-methyl-2-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide?
6-methyl-2-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109327440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).