N-[2-(dimethylamino)ethyl]-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide

C18H25N5O — CID 109252850

IUPACN-[2-(dimethylamino)ethyl]-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
SMILESCCN(c1cccc(C)c1)c1ncc(C(=O)NCCN(C)C)cn1
InChIInChI=1S/C18H25N5O/c1-5-23(16-8-6-7-14(2)11-16)18-20-12-15(13-21-18)17(24)19-9-10-22(3)4/h6-8,11-13H,5,9-10H2,1-4H3,(H,19,24)
InChIKeyXFPBMXAWTLMZBI-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.23
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide

N-[2-(dimethylamino)ethyl]-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide (PubChem CID 109252850) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
PubChem CID109252850
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
SMILESCCN(c1cccc(C)c1)c1ncc(C(=O)NCCN(C)C)cn1
InChIInChI=1S/C18H25N5O/c1-5-23(16-8-6-7-14(2)11-16)18-20-12-15(13-21-18)17(24)19-9-10-22(3)4/h6-8,11-13H,5,9-10H2,1-4H3,(H,19,24)
InChIKeyXFPBMXAWTLMZBI-UHFFFAOYSA-N
XLogP2.23
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109252763
2-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256997
2-(N-ethyl-3-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide
CID 109247056
2-(N-ethyl-3-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265763
2-(diethylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252730
2-(N-ethyl-3-methylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109268042
N-[3-(dimethylamino)propyl]-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109186079
N-[2-(dimethylamino)ethyl]-6-(N-ethyl-3-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 109366329
N-(5-chloro-2-methylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109269032
N-(1,1-dioxothiolan-3-yl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109260839
2-(N-ethyl-3-methylanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256472
N-ethyl-2-(N-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109267707

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide (CID 109252850) is N-[2-(dimethylamino)ethyl]-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide is CCN(c1cccc(C)c1)c1ncc(C(=O)NCCN(C)C)cn1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide?
The InChIKey is XFPBMXAWTLMZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-5-23(16-8-6-7-14(2)11-16)18-20-12-15(13-21-18)17(24)19-9-10-22(3)4/h6-8,11-13H,5,9-10H2,1-4H3,(H,19,24).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide?
N-[2-(dimethylamino)ethyl]-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.23, 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]-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109252850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).