N-[2-(dimethylamino)ethyl]-6-(N-ethyl-3-methylanilino)-2-methylpyrimidine-4-carboxamide

C19H27N5O — CID 109366329

IUPACN-[2-(dimethylamino)ethyl]-6-(N-ethyl-3-methylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCCN(c1cccc(C)c1)c1cc(C(=O)NCCN(C)C)nc(C)n1
InChIInChI=1S/C19H27N5O/c1-6-24(16-9-7-8-14(2)12-16)18-13-17(21-15(3)22-18)19(25)20-10-11-23(4)5/h7-9,12-13H,6,10-11H2,1-5H3,(H,20,25)
InChIKeyYARYOGBNRDBQQA-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.54
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-6-(N-ethyl-3-methylanilino)-2-methylpyrimidine-4-carboxamide

N-[2-(dimethylamino)ethyl]-6-(N-ethyl-3-methylanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109366329) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-(N-ethyl-3-methylanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-(N-ethyl-3-methylanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID109366329
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[2-(dimethylamino)ethyl]-6-(N-ethyl-3-methylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCCN(c1cccc(C)c1)c1cc(C(=O)NCCN(C)C)nc(C)n1
InChIInChI=1S/C19H27N5O/c1-6-24(16-9-7-8-14(2)12-16)18-13-17(21-15(3)22-18)19(25)20-10-11-23(4)5/h7-9,12-13H,6,10-11H2,1-5H3,(H,20,25)
InChIKeyYARYOGBNRDBQQA-UHFFFAOYSA-N
XLogP2.54
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylamino)propyl]-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109366778
6-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369741
N-[2-(dimethylamino)ethyl]-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109252850
N-ethyl-6-(N-ethylanilino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 112849511
N-[3-(dimethylamino)propyl]-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109186079
6-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372149
N-[2-(dimethylamino)ethyl]-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112853685
6-(N-ethyl-3-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110572
N-cyclopropyl-6-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112851951
5-(N-ethyl-3-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283898
6-(N-ethyl-3-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109351156
6-N-[2-(dimethylamino)ethyl]-4-N-ethyl-2-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112870268

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6-(N-ethyl-3-methylanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-(N-ethyl-3-methylanilino)-2-methylpyrimidine-4-carboxamide (CID 109366329) is N-[2-(dimethylamino)ethyl]-6-(N-ethyl-3-methylanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-(N-ethyl-3-methylanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-(N-ethyl-3-methylanilino)-2-methylpyrimidine-4-carboxamide is CCN(c1cccc(C)c1)c1cc(C(=O)NCCN(C)C)nc(C)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-(N-ethyl-3-methylanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is YARYOGBNRDBQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-6-24(16-9-7-8-14(2)12-16)18-13-17(21-15(3)22-18)19(25)20-10-11-23(4)5/h7-9,12-13H,6,10-11H2,1-5H3,(H,20,25).
What are the key properties of N-[2-(dimethylamino)ethyl]-6-(N-ethyl-3-methylanilino)-2-methylpyrimidine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-6-(N-ethyl-3-methylanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-(N-ethyl-3-methylanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109366329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).