1,3-dimethyl-4-(methylamino)-2,6-dioxo-N-phenacylpyrimidine-5-carboxamide

C16H18N4O4 — CID 22307801

IUPAC1,3-dimethyl-4-(methylamino)-2,6-dioxo-N-phenacylpyrimidine-5-carboxamide
SMILESCNc1c(C(=O)NCC(=O)c2ccccc2)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C16H18N4O4/c1-17-13-12(15(23)20(3)16(24)19(13)2)14(22)18-9-11(21)10-7-5-4-6-8-10/h4-8,17H,9H2,1-3H3,(H,18,22)
InChIKeyZPLTYAWQBRBCSD-UHFFFAOYSA-N
MW330.34 g/mol
LogP-0.26
Rot. Bonds5

About 1,3-dimethyl-4-(methylamino)-2,6-dioxo-N-phenacylpyrimidine-5-carboxamide

1,3-dimethyl-4-(methylamino)-2,6-dioxo-N-phenacylpyrimidine-5-carboxamide (PubChem CID 22307801) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 1,3-dimethyl-4-(methylamino)-2,6-dioxo-N-phenacylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-4-(methylamino)-2,6-dioxo-N-phenacylpyrimidine-5-carboxamide
PubChem CID22307801
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name1,3-dimethyl-4-(methylamino)-2,6-dioxo-N-phenacylpyrimidine-5-carboxamide
SMILESCNc1c(C(=O)NCC(=O)c2ccccc2)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C16H18N4O4/c1-17-13-12(15(23)20(3)16(24)19(13)2)14(22)18-9-11(21)10-7-5-4-6-8-10/h4-8,17H,9H2,1-3H3,(H,18,22)
InChIKeyZPLTYAWQBRBCSD-UHFFFAOYSA-N
XLogP-0.26
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-anilino-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide
CID 11727816
1-methyl-N-phenacylpyrazole-4-carboxamide
CID 64991757
3-methyl-N-phenacylbenzamide
CID 3417494
N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-4-oxo-4-phenylbutanamide
CID 122635857
N-[2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]benzamide
CID 15643349
1,3-dimethyl-7-phenacyl-8-piperidin-1-ylpurine-2,6-dione
CID 1036712
N-(6-amino-1,3-dimethyl-2,4,7-trioxo-1,3-diazepin-5-yl)benzamide
CID 171978184
2-[(5-hydroxy-8-methyl-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carbonyl)amino]acetic acid
CID 54741099
4-chloro-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide
CID 11748395
6-methyl-N-phenacylpyridine-3-carboxamide
CID 64991652
3-methyl-N-phenacylthiophene-2-carboxamide
CID 64991702
N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 155676275

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(methylamino)-2,6-dioxo-N-phenacylpyrimidine-5-carboxamide?
The IUPAC name of 1,3-dimethyl-4-(methylamino)-2,6-dioxo-N-phenacylpyrimidine-5-carboxamide (CID 22307801) is 1,3-dimethyl-4-(methylamino)-2,6-dioxo-N-phenacylpyrimidine-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-4-(methylamino)-2,6-dioxo-N-phenacylpyrimidine-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-4-(methylamino)-2,6-dioxo-N-phenacylpyrimidine-5-carboxamide is CNc1c(C(=O)NCC(=O)c2ccccc2)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-4-(methylamino)-2,6-dioxo-N-phenacylpyrimidine-5-carboxamide?
The InChIKey is ZPLTYAWQBRBCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-17-13-12(15(23)20(3)16(24)19(13)2)14(22)18-9-11(21)10-7-5-4-6-8-10/h4-8,17H,9H2,1-3H3,(H,18,22).
What are the key properties of 1,3-dimethyl-4-(methylamino)-2,6-dioxo-N-phenacylpyrimidine-5-carboxamide?
1,3-dimethyl-4-(methylamino)-2,6-dioxo-N-phenacylpyrimidine-5-carboxamide has a molecular weight of 330.34 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(methylamino)-2,6-dioxo-N-phenacylpyrimidine-5-carboxamide is sourced from PubChem (CID 22307801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).