6-(2-ethyl-6-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide

C18H24N4O — CID 109340481

IUPAC6-(2-ethyl-6-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1Nc1cc(C(=O)NCC(C)C)ncn1
InChIInChI=1S/C18H24N4O/c1-5-14-8-6-7-13(4)17(14)22-16-9-15(20-11-21-16)18(23)19-10-12(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,19,23)(H,20,21,22)
InChIKeyXBZHQJKBFDRJME-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.48
Rot. Bonds6

About 6-(2-ethyl-6-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide

6-(2-ethyl-6-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide (PubChem CID 109340481) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-(2-ethyl-6-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-ethyl-6-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
PubChem CID109340481
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name6-(2-ethyl-6-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1Nc1cc(C(=O)NCC(C)C)ncn1
InChIInChI=1S/C18H24N4O/c1-5-14-8-6-7-13(4)17(14)22-16-9-15(20-11-21-16)18(23)19-10-12(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,19,23)(H,20,21,22)
InChIKeyXBZHQJKBFDRJME-UHFFFAOYSA-N
XLogP3.48
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340486
N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
CID 109344935
6-(2-ethyl-6-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355812
N-cyclopropyl-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
CID 109339321
6-(2-methyl-6-propan-2-ylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338546
6-(2,6-dimethylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109354537
6-(2,6-diethylanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344323
6-(3,5-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340475
6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109357545
6-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347441
6-(2-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354320
6-(2,6-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353414

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-6-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-ethyl-6-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide (CID 109340481) is 6-(2-ethyl-6-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-ethyl-6-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-ethyl-6-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide is CCc1cccc(C)c1Nc1cc(C(=O)NCC(C)C)ncn1.
What is the InChIKey of 6-(2-ethyl-6-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The InChIKey is XBZHQJKBFDRJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-5-14-8-6-7-13(4)17(14)22-16-9-15(20-11-21-16)18(23)19-10-12(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,19,23)(H,20,21,22).
What are the key properties of 6-(2-ethyl-6-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide?
6-(2-ethyl-6-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-6-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109340481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).