1-benzyl-N,N-dimethyl-2-(2-methylanilino)-4-oxopyrimidine-5-carboxamide

C21H22N4O2 — CID 134290420

IUPAC1-benzyl-N,N-dimethyl-2-(2-methylanilino)-4-oxopyrimidine-5-carboxamide
SMILESCc1ccccc1Nc1nc(=O)c(C(=O)N(C)C)cn1Cc1ccccc1
InChIInChI=1S/C21H22N4O2/c1-15-9-7-8-12-18(15)22-21-23-19(26)17(20(27)24(2)3)14-25(21)13-16-10-5-4-6-11-16/h4-12,14H,13H2,1-3H3,(H,22,23,26)
InChIKeyHXGKWIIIGDCYJM-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.05
Rot. Bonds5

About 1-benzyl-N,N-dimethyl-2-(2-methylanilino)-4-oxopyrimidine-5-carboxamide

1-benzyl-N,N-dimethyl-2-(2-methylanilino)-4-oxopyrimidine-5-carboxamide (PubChem CID 134290420) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-benzyl-N,N-dimethyl-2-(2-methylanilino)-4-oxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N,N-dimethyl-2-(2-methylanilino)-4-oxopyrimidine-5-carboxamide
PubChem CID134290420
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-benzyl-N,N-dimethyl-2-(2-methylanilino)-4-oxopyrimidine-5-carboxamide
SMILESCc1ccccc1Nc1nc(=O)c(C(=O)N(C)C)cn1Cc1ccccc1
InChIInChI=1S/C21H22N4O2/c1-15-9-7-8-12-18(15)22-21-23-19(26)17(20(27)24(2)3)14-25(21)13-16-10-5-4-6-11-16/h4-12,14H,13H2,1-3H3,(H,22,23,26)
InChIKeyHXGKWIIIGDCYJM-UHFFFAOYSA-N
XLogP3.05
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[1-benzyl-2-(2,3-dimethylanilino)-4-oxopyrimidin-5-yl]acetate
CID 163928985
2-[1-benzyl-2-(3-chloro-2-methylanilino)-4-oxopyrimidin-5-yl]acetic acid
CID 134290303
1-benzyl-2-(2-fluoro-3-methylanilino)-5-methoxypyrimidin-4-one
CID 134291629
1-benzyl-2-[5-(dihydroxyamino)-2-methylanilino]-5-methoxypyrimidin-4-one
CID 158183969
3-[(1-benzyl-5-methoxy-4-oxopyrimidin-2-yl)amino]-4-methylbenzamide
CID 134290313
N,N-dimethyl-2-(2-methylanilino)benzamide
CID 11402568
2-[1-benzyl-2-(3-chloro-2-methylanilino)-4-oxopyrimidin-5-yl]-N-(cyanomethyl)acetamide
CID 134290796
1-benzyl-2-(3-chloro-2-methylanilino)-N-(oxan-4-yl)-4-oxopyrimidine-5-carboxamide;1-benzyl-2-(3-chloro-2-methylanilino)-4-oxopyrimidine-5-carboxylic acid
CID 160501950
5-methoxy-2-(2-methylanilino)-1-[(3,4,5-trifluorophenyl)methyl]pyrimidin-4-one
CID 134291142
2-[1-benzyl-2-(3-chloro-2-methylanilino)-4-oxopyrimidin-5-yl]-N-(oxetan-3-yl)acetamide
CID 134291313
1-benzyl-5-ethoxy-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one
CID 134290688
2-[1-benzyl-2-(3-chloro-2-methylanilino)-4-oxopyrimidin-5-yl]acetaldehyde
CID 134290301

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N,N-dimethyl-2-(2-methylanilino)-4-oxopyrimidine-5-carboxamide?
The IUPAC name of 1-benzyl-N,N-dimethyl-2-(2-methylanilino)-4-oxopyrimidine-5-carboxamide (CID 134290420) is 1-benzyl-N,N-dimethyl-2-(2-methylanilino)-4-oxopyrimidine-5-carboxamide.
What is the SMILES notation for 1-benzyl-N,N-dimethyl-2-(2-methylanilino)-4-oxopyrimidine-5-carboxamide?
The canonical SMILES for 1-benzyl-N,N-dimethyl-2-(2-methylanilino)-4-oxopyrimidine-5-carboxamide is Cc1ccccc1Nc1nc(=O)c(C(=O)N(C)C)cn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N,N-dimethyl-2-(2-methylanilino)-4-oxopyrimidine-5-carboxamide?
The InChIKey is HXGKWIIIGDCYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-9-7-8-12-18(15)22-21-23-19(26)17(20(27)24(2)3)14-25(21)13-16-10-5-4-6-11-16/h4-12,14H,13H2,1-3H3,(H,22,23,26).
What are the key properties of 1-benzyl-N,N-dimethyl-2-(2-methylanilino)-4-oxopyrimidine-5-carboxamide?
1-benzyl-N,N-dimethyl-2-(2-methylanilino)-4-oxopyrimidine-5-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N,N-dimethyl-2-(2-methylanilino)-4-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 134290420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).