4-anilino-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide

C19H18N4O3 — CID 11727816

IUPAC4-anilino-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide
SMILESCn1c(Nc2ccccc2)c(C(=O)Nc2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C19H18N4O3/c1-22-16(20-13-9-5-3-6-10-13)15(18(25)23(2)19(22)26)17(24)21-14-11-7-4-8-12-14/h3-12,20H,1-2H3,(H,21,24)
InChIKeyBSCJBFBYECPKAZ-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.08
Rot. Bonds4

About 4-anilino-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide

4-anilino-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide (PubChem CID 11727816) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-anilino-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-anilino-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide
PubChem CID11727816
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name4-anilino-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide
SMILESCn1c(Nc2ccccc2)c(C(=O)Nc2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C19H18N4O3/c1-22-16(20-13-9-5-3-6-10-13)15(18(25)23(2)19(22)26)17(24)21-14-11-7-4-8-12-14/h3-12,20H,1-2H3,(H,21,24)
InChIKeyBSCJBFBYECPKAZ-UHFFFAOYSA-N
XLogP2.08
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide
CID 11748395
4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54676449
2,3,4,5,6-pentamethyl-N-phenylbenzamide
CID 60629319
1-methyl-N-phenylpyrrole-3-carboxamide
CID 110762710
1,3-dimethyl-4-(methylamino)-2,6-dioxo-N-phenacylpyrimidine-5-carboxamide
CID 22307801
6-chloro-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54717880
1,4,6-trimethyl-2-oxo-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 110862650
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
2-[[1,6-dimethyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1,6-dimethyl-N-phenylindole-3-carboxamide
CID 5328608
2-methyl-5-oxo-N,3-diphenyl-1,2-oxazole-4-carboxamide
CID 110681206
(5R)-1,3,7-trimethyl-2,4-dioxo-N,5-diphenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
CID 40771922
4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-phenylpyrimidine-5-carboxamide
CID 172593964

Frequently Asked Questions

What is the IUPAC name of 4-anilino-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 4-anilino-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide (CID 11727816) is 4-anilino-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-anilino-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 4-anilino-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide is Cn1c(Nc2ccccc2)c(C(=O)Nc2ccccc2)c(=O)n(C)c1=O.
What is the InChIKey of 4-anilino-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide?
The InChIKey is BSCJBFBYECPKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-22-16(20-13-9-5-3-6-10-13)15(18(25)23(2)19(22)26)17(24)21-14-11-7-4-8-12-14/h3-12,20H,1-2H3,(H,21,24).
What are the key properties of 4-anilino-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide?
4-anilino-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 11727816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).