5-[3,5-bis(trifluoromethyl)phenyl]-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide

C19H16F6N4O3 — CID 45266973

IUPAC5-[3,5-bis(trifluoromethyl)phenyl]-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCC1=C(C(N)=O)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c(n(C)c(=O)n(C)c2=O)N1
InChIInChI=1S/C19H16F6N4O3/c1-7-11(14(26)30)12(13-15(27-7)28(2)17(32)29(3)16(13)31)8-4-9(18(20,21)22)6-10(5-8)19(23,24)25/h4-6,12,27H,1-3H3,(H2,26,30)
InChIKeyAUCWLKKNCBBXKO-UHFFFAOYSA-N
MW462.35 g/mol
LogP2.44
Rot. Bonds2

About 5-[3,5-bis(trifluoromethyl)phenyl]-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide

5-[3,5-bis(trifluoromethyl)phenyl]-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 45266973) has the molecular formula C19H16F6N4O3 and a molecular weight of 462.35 g/mol. Its IUPAC name is 5-[3,5-bis(trifluoromethyl)phenyl]-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-[3,5-bis(trifluoromethyl)phenyl]-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID45266973
Molecular FormulaC19H16F6N4O3
Molecular Weight462.35 g/mol
Exact Mass462.11
IUPAC Name5-[3,5-bis(trifluoromethyl)phenyl]-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCC1=C(C(N)=O)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c(n(C)c(=O)n(C)c2=O)N1
InChIInChI=1S/C19H16F6N4O3/c1-7-11(14(26)30)12(13-15(27-7)28(2)17(32)29(3)16(13)31)8-4-9(18(20,21)22)6-10(5-8)19(23,24)25/h4-6,12,27H,1-3H3,(H2,26,30)
InChIKeyAUCWLKKNCBBXKO-UHFFFAOYSA-N
XLogP2.44
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Miricorilant
CID 66550324
5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
CID 66550096
3-methyl-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
CID 66550726
3-methyl-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
CID 66550729
6-amino-5-[(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(phenyl)methyl]-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
CID 4670608
13-Ethyl-8-(4-methylphenyl)-5-prop-2-enyl-2,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene-6,10,12-trione
CID 137644677
3-(2-methoxyethyl)-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
CID 68327007
1,3-dimethyl-5-[4-(trifluoromethyl)phenyl]-5,8-dihydropyrido[2,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione
CID 5299313
5-(3-fluorophenyl)-1,3,8,8-tetramethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
CID 18866915
13-Ethyl-5-methyl-8-(4-methylphenyl)-2,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene-6,10,12-trione
CID 137636712
13-Ethyl-8-(4-methylphenyl)-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene-6,10,12-trione
CID 137654718
5-(4-fluorophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
CID 2920261

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide (CID 45266973) is 5-[3,5-bis(trifluoromethyl)phenyl]-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-[3,5-bis(trifluoromethyl)phenyl]-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-[3,5-bis(trifluoromethyl)phenyl]-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide is CC1=C(C(N)=O)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c(n(C)c(=O)n(C)c2=O)N1.
What is the InChIKey of 5-[3,5-bis(trifluoromethyl)phenyl]-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is AUCWLKKNCBBXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N4O3/c1-7-11(14(26)30)12(13-15(27-7)28(2)17(32)29(3)16(13)31)8-4-9(18(20,21)22)6-10(5-8)19(23,24)25/h4-6,12,27H,1-3H3,(H2,26,30).
What are the key properties of 5-[3,5-bis(trifluoromethyl)phenyl]-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide?
5-[3,5-bis(trifluoromethyl)phenyl]-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 462.35 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(trifluoromethyl)phenyl]-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 45266973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).