N-ethyl-N-(3-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide

C22H24N4O — CID 109347136

IUPACN-ethyl-N-(3-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(NCc2cccc(C)c2)ncn1)c1cccc(C)c1
InChIInChI=1S/C22H24N4O/c1-4-26(19-10-6-8-17(3)12-19)22(27)20-13-21(25-15-24-20)23-14-18-9-5-7-16(2)11-18/h5-13,15H,4,14H2,1-3H3,(H,23,24,25)
InChIKeyKMNPZWDUBUSFLW-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.37
Rot. Bonds6

About N-ethyl-N-(3-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide

N-ethyl-N-(3-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109347136) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109347136
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-ethyl-N-(3-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(NCc2cccc(C)c2)ncn1)c1cccc(C)c1
InChIInChI=1S/C22H24N4O/c1-4-26(19-10-6-8-17(3)12-19)22(27)20-13-21(25-15-24-20)23-14-18-9-5-7-16(2)11-18/h5-13,15H,4,14H2,1-3H3,(H,23,24,25)
InChIKeyKMNPZWDUBUSFLW-UHFFFAOYSA-N
XLogP4.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-(2-methoxyethylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109342915
6-(benzylamino)-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109117833
N-ethyl-2-methyl-N-(3-methylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371076
6-[(3-methylphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109347033
6-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109355332
6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791044
N-ethyl-4-[(4-fluorophenyl)methylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109211612
6-(2,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109356752
N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347068
N-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109347313
N-cyclohexyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109341985
N-ethyl-6-methyl-N-(3-methylphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327878

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide (CID 109347136) is N-ethyl-N-(3-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide is CCN(C(=O)c1cc(NCc2cccc(C)c2)ncn1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is KMNPZWDUBUSFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-4-26(19-10-6-8-17(3)12-19)22(27)20-13-21(25-15-24-20)23-14-18-9-5-7-16(2)11-18/h5-13,15H,4,14H2,1-3H3,(H,23,24,25).
What are the key properties of N-ethyl-N-(3-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide?
N-ethyl-N-(3-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109347136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).