N-butyl-2-(N-ethyl-3-methylanilino)-N-methylpyrimidine-4-carboxamide

C19H26N4O — CID 109312422

IUPACN-butyl-2-(N-ethyl-3-methylanilino)-N-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1ccnc(N(CC)c2cccc(C)c2)n1
InChIInChI=1S/C19H26N4O/c1-5-7-13-22(4)18(24)17-11-12-20-19(21-17)23(6-2)16-10-8-9-15(3)14-16/h8-12,14H,5-7,13H2,1-4H3
InChIKeyUYGACLWSOGNEAQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.82
Rot. Bonds7

About N-butyl-2-(N-ethyl-3-methylanilino)-N-methylpyrimidine-4-carboxamide

N-butyl-2-(N-ethyl-3-methylanilino)-N-methylpyrimidine-4-carboxamide (PubChem CID 109312422) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-butyl-2-(N-ethyl-3-methylanilino)-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(N-ethyl-3-methylanilino)-N-methylpyrimidine-4-carboxamide
PubChem CID109312422
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-butyl-2-(N-ethyl-3-methylanilino)-N-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1ccnc(N(CC)c2cccc(C)c2)n1
InChIInChI=1S/C19H26N4O/c1-5-7-13-22(4)18(24)17-11-12-20-19(21-17)23(6-2)16-10-8-9-15(3)14-16/h8-12,14H,5-7,13H2,1-4H3
InChIKeyUYGACLWSOGNEAQ-UHFFFAOYSA-N
XLogP3.82
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-(N-ethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109312336
N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109315921
4-N-butyl-2-N-ethyl-4-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109090030
2-(N-ethyl-3-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906468
2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313600
N-butyl-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310342
2-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307163
N-butyl-N-methyl-4-(3-methylanilino)pyridine-2-carboxamide
CID 109217712
2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 116796498
[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302364
2-[benzyl(methyl)amino]-N-butyl-N-methylpyrimidine-4-carboxamide
CID 109305016
2-(N-ethyl-3-methylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109315780

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(N-ethyl-3-methylanilino)-N-methylpyrimidine-4-carboxamide?
The IUPAC name of N-butyl-2-(N-ethyl-3-methylanilino)-N-methylpyrimidine-4-carboxamide (CID 109312422) is N-butyl-2-(N-ethyl-3-methylanilino)-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-2-(N-ethyl-3-methylanilino)-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-2-(N-ethyl-3-methylanilino)-N-methylpyrimidine-4-carboxamide is CCCCN(C)C(=O)c1ccnc(N(CC)c2cccc(C)c2)n1.
What is the InChIKey of N-butyl-2-(N-ethyl-3-methylanilino)-N-methylpyrimidine-4-carboxamide?
The InChIKey is UYGACLWSOGNEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-5-7-13-22(4)18(24)17-11-12-20-19(21-17)23(6-2)16-10-8-9-15(3)14-16/h8-12,14H,5-7,13H2,1-4H3.
What are the key properties of N-butyl-2-(N-ethyl-3-methylanilino)-N-methylpyrimidine-4-carboxamide?
N-butyl-2-(N-ethyl-3-methylanilino)-N-methylpyrimidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(N-ethyl-3-methylanilino)-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109312422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).