1-butyl-3-methyl-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C18H17F3N4O2 — CID 2999640

IUPAC1-butyl-3-methyl-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)n(C)c(=O)c2c(C(F)(F)F)cc(-c3ccncc3)nc21
InChIInChI=1S/C18H17F3N4O2/c1-3-4-9-25-15-14(16(26)24(2)17(25)27)12(18(19,20)21)10-13(23-15)11-5-7-22-8-6-11/h5-8,10H,3-4,9H2,1-2H3
InChIKeyLXBZRGSYONVLRN-UHFFFAOYSA-N
MW378.35 g/mol
LogP2.98
Rot. Bonds4

About 1-butyl-3-methyl-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

1-butyl-3-methyl-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 2999640) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is 1-butyl-3-methyl-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-butyl-3-methyl-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID2999640
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name1-butyl-3-methyl-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)n(C)c(=O)c2c(C(F)(F)F)cc(-c3ccncc3)nc21
InChIInChI=1S/C18H17F3N4O2/c1-3-4-9-25-15-14(16(26)24(2)17(25)27)12(18(19,20)21)10-13(23-15)11-5-7-22-8-6-11/h5-8,10H,3-4,9H2,1-2H3
InChIKeyLXBZRGSYONVLRN-UHFFFAOYSA-N
XLogP2.98
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-butyl-3-methyl-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

Imnopitant
CID 9808518
13-Benzyl-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470723
2-Ethyl-9-methyl-13-(2-phenylethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470725
2-Ethyl-9-methyl-13-(3-phenylpropyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470726
5,11-Dihydro-11-ethyl-5-methyl-8-[2-(pyrid-4-yl)ethyl]-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
CID 470729
2-Ethyl-9-methyl-13-[2-(pyridin-3-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470730
2-Ethyl-9-methyl-13-[2-(pyridin-2-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470731
2-Ethyl-13-[2-(3-fluorophenyl)ethyl]-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470738
2-Ethyl-5-iodo-9-methyl-13-[2-(pyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470744
2-Ethyl-5-fluoro-9-methyl-13-[2-(pyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470745
2-Ethyl-9-methyl-10-oxo-13-[2-(pyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carbonitrile
CID 470747
2-Ethyl-9-methyl-13-[2-(2-methylpyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470752

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-butyl-3-methyl-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 2999640) is 1-butyl-3-methyl-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-butyl-3-methyl-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-butyl-3-methyl-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is CCCCn1c(=O)n(C)c(=O)c2c(C(F)(F)F)cc(-c3ccncc3)nc21.
What is the InChIKey of 1-butyl-3-methyl-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is LXBZRGSYONVLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c1-3-4-9-25-15-14(16(26)24(2)17(25)27)12(18(19,20)21)10-13(23-15)11-5-7-22-8-6-11/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of 1-butyl-3-methyl-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-butyl-3-methyl-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 378.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2999640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).