6-[benzyl(methyl)amino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide

C18H24N4O — CID 109369359

IUPAC6-[benzyl(methyl)amino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(N(C)Cc2ccccc2)nc(C)n1
InChIInChI=1S/C18H24N4O/c1-5-22(6-2)18(23)16-12-17(20-14(3)19-16)21(4)13-15-10-8-7-9-11-15/h7-12H,5-6,13H2,1-4H3
InChIKeyOBCATWLDTWXCRV-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.90
Rot. Bonds6

About 6-[benzyl(methyl)amino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide

6-[benzyl(methyl)amino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide (PubChem CID 109369359) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-[benzyl(methyl)amino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[benzyl(methyl)amino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide
PubChem CID109369359
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name6-[benzyl(methyl)amino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(N(C)Cc2ccccc2)nc(C)n1
InChIInChI=1S/C18H24N4O/c1-5-22(6-2)18(23)16-12-17(20-14(3)19-16)21(4)13-15-10-8-7-9-11-15/h7-12H,5-6,13H2,1-4H3
InChIKeyOBCATWLDTWXCRV-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxylic acid
CID 82299929
6-[benzyl(methyl)amino]-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369386
6-[benzyl(methyl)amino]-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369385
6-[benzyl(methyl)amino]-N-(2-chlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109369396
6-[benzyl(methyl)amino]-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109369394
2-[benzyl(methyl)amino]-N,N-diethylpyrimidine-4-carboxamide
CID 109305008
6-[benzyl(methyl)amino]-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369384
[6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364267
N-benzyl-6-(butan-2-ylamino)-N-ethyl-2-methylpyrimidine-4-carboxamide
CID 109362341
6-[benzyl(ethyl)amino]-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360211
N-(1,3-benzodioxol-5-yl)-6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxamide
CID 109369426
6-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-2-methylpyrimidine-4-carboxamide
CID 109369353

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(methyl)amino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-[benzyl(methyl)amino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide (CID 109369359) is 6-[benzyl(methyl)amino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[benzyl(methyl)amino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[benzyl(methyl)amino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide is CCN(CC)C(=O)c1cc(N(C)Cc2ccccc2)nc(C)n1.
What is the InChIKey of 6-[benzyl(methyl)amino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
The InChIKey is OBCATWLDTWXCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-5-22(6-2)18(23)16-12-17(20-14(3)19-16)21(4)13-15-10-8-7-9-11-15/h7-12H,5-6,13H2,1-4H3.
What are the key properties of 6-[benzyl(methyl)amino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
6-[benzyl(methyl)amino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(methyl)amino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109369359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).