N-benzyl-N-ethyl-6-(N-ethylanilino)pyrimidine-4-carboxamide

C22H24N4O — CID 109349515

IUPACN-benzyl-N-ethyl-6-(N-ethylanilino)pyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(N(CC)c2ccccc2)ncn1
InChIInChI=1S/C22H24N4O/c1-3-25(16-18-11-7-5-8-12-18)22(27)20-15-21(24-17-23-20)26(4-2)19-13-9-6-10-14-19/h5-15,17H,3-4,16H2,1-2H3
InChIKeyPPQYBPPLUMPVQD-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.30
Rot. Bonds7

About N-benzyl-N-ethyl-6-(N-ethylanilino)pyrimidine-4-carboxamide

N-benzyl-N-ethyl-6-(N-ethylanilino)pyrimidine-4-carboxamide (PubChem CID 109349515) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-benzyl-N-ethyl-6-(N-ethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-6-(N-ethylanilino)pyrimidine-4-carboxamide
PubChem CID109349515
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-benzyl-N-ethyl-6-(N-ethylanilino)pyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(N(CC)c2ccccc2)ncn1
InChIInChI=1S/C22H24N4O/c1-3-25(16-18-11-7-5-8-12-18)22(27)20-15-21(24-17-23-20)26(4-2)19-13-9-6-10-14-19/h5-15,17H,3-4,16H2,1-2H3
InChIKeyPPQYBPPLUMPVQD-UHFFFAOYSA-N
XLogP4.30
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(N-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350583
N-benzyl-6-ethoxy-N-ethylpyrimidine-4-carboxamide
CID 121018154
4-(N-benzylanilino)-N,N-diethylpyridine-2-carboxamide
CID 109216457
6-(N-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354322
N-benzyl-6-(butan-2-ylamino)-N-ethylpyrimidine-4-carboxamide
CID 109340603
6-(N-ethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355985
N-benzyl-6-(4-chloroanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349520
N-(4-bromophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357416
N-benzyl-N-ethyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109346785
N-benzyl-6-(3,4-dimethylanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349509
6-(N-ethylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346373
6-(diethylamino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109353284

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-6-(N-ethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-6-(N-ethylanilino)pyrimidine-4-carboxamide (CID 109349515) is N-benzyl-N-ethyl-6-(N-ethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-6-(N-ethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-6-(N-ethylanilino)pyrimidine-4-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc(N(CC)c2ccccc2)ncn1.
What is the InChIKey of N-benzyl-N-ethyl-6-(N-ethylanilino)pyrimidine-4-carboxamide?
The InChIKey is PPQYBPPLUMPVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-3-25(16-18-11-7-5-8-12-18)22(27)20-15-21(24-17-23-20)26(4-2)19-13-9-6-10-14-19/h5-15,17H,3-4,16H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-6-(N-ethylanilino)pyrimidine-4-carboxamide?
N-benzyl-N-ethyl-6-(N-ethylanilino)pyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-6-(N-ethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109349515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).