N-benzyl-6-(3,4-dimethylanilino)-N-ethylpyrimidine-4-carboxamide

C22H24N4O — CID 109349509

IUPACN-benzyl-6-(3,4-dimethylanilino)-N-ethylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(Nc2ccc(C)c(C)c2)ncn1
InChIInChI=1S/C22H24N4O/c1-4-26(14-18-8-6-5-7-9-18)22(27)20-13-21(24-15-23-20)25-19-11-10-16(2)17(3)12-19/h5-13,15H,4,14H2,1-3H3,(H,23,24,25)
InChIKeyMVLKPSKITHHLDH-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.50
Rot. Bonds6

About N-benzyl-6-(3,4-dimethylanilino)-N-ethylpyrimidine-4-carboxamide

N-benzyl-6-(3,4-dimethylanilino)-N-ethylpyrimidine-4-carboxamide (PubChem CID 109349509) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-benzyl-6-(3,4-dimethylanilino)-N-ethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(3,4-dimethylanilino)-N-ethylpyrimidine-4-carboxamide
PubChem CID109349509
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-benzyl-6-(3,4-dimethylanilino)-N-ethylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(Nc2ccc(C)c(C)c2)ncn1
InChIInChI=1S/C22H24N4O/c1-4-26(14-18-8-6-5-7-9-18)22(27)20-13-21(24-15-23-20)25-19-11-10-16(2)17(3)12-19/h5-13,15H,4,14H2,1-3H3,(H,23,24,25)
InChIKeyMVLKPSKITHHLDH-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-(4-chloroanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349520
N-benzyl-N-ethyl-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109349543
6-(3-chloro-4-methylanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353435
N-benzyl-N-ethyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109346785
N-benzyl-6-(2,5-dimethoxyanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349532
N-benzyl-6-(butan-2-ylamino)-N-ethylpyrimidine-4-carboxamide
CID 109340603
N-butyl-6-(3,4-dimethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109354751
N-benzyl-N-ethyl-4-(2-methylanilino)pyridine-2-carboxamide
CID 109212519
6-(2,6-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353414
6-(3,5-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353413
6-(3-acetamidoanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353458
N-benzyl-6-(4-fluoroanilino)-N-methylpyrimidine-4-carboxamide
CID 109347946

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(3,4-dimethylanilino)-N-ethylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-(3,4-dimethylanilino)-N-ethylpyrimidine-4-carboxamide (CID 109349509) is N-benzyl-6-(3,4-dimethylanilino)-N-ethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-(3,4-dimethylanilino)-N-ethylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-(3,4-dimethylanilino)-N-ethylpyrimidine-4-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc(Nc2ccc(C)c(C)c2)ncn1.
What is the InChIKey of N-benzyl-6-(3,4-dimethylanilino)-N-ethylpyrimidine-4-carboxamide?
The InChIKey is MVLKPSKITHHLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-4-26(14-18-8-6-5-7-9-18)22(27)20-13-21(24-15-23-20)25-19-11-10-16(2)17(3)12-19/h5-13,15H,4,14H2,1-3H3,(H,23,24,25).
What are the key properties of N-benzyl-6-(3,4-dimethylanilino)-N-ethylpyrimidine-4-carboxamide?
N-benzyl-6-(3,4-dimethylanilino)-N-ethylpyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(3,4-dimethylanilino)-N-ethylpyrimidine-4-carboxamide is sourced from PubChem (CID 109349509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).