1-(4-methyl-3-pyridinyl)-7-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione

C14H15F3N4O2 — CID 162370672

IUPAC1-(4-methyl-3-pyridinyl)-7-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccncc1N1C(=O)NC(=O)C2CCC(C(F)(F)F)NC21
InChIInChI=1S/C14H15F3N4O2/c1-7-4-5-18-6-9(7)21-11-8(12(22)20-13(21)23)2-3-10(19-11)14(15,16)17/h4-6,8,10-11,19H,2-3H2,1H3,(H,20,22,23)
InChIKeyVIFQGDBUNGOEEO-UHFFFAOYSA-N
MW328.29 g/mol
LogP1.70
Rot. Bonds1

About 1-(4-methyl-3-pyridinyl)-7-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione

1-(4-methyl-3-pyridinyl)-7-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 162370672) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is 1-(4-methyl-3-pyridinyl)-7-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-methyl-3-pyridinyl)-7-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID162370672
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC Name1-(4-methyl-3-pyridinyl)-7-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccncc1N1C(=O)NC(=O)C2CCC(C(F)(F)F)NC21
InChIInChI=1S/C14H15F3N4O2/c1-7-4-5-18-6-9(7)21-11-8(12(22)20-13(21)23)2-3-10(19-11)14(15,16)17/h4-6,8,10-11,19H,2-3H2,1H3,(H,20,22,23)
InChIKeyVIFQGDBUNGOEEO-UHFFFAOYSA-N
XLogP1.70
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-pyridinyl)-7-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(4-methyl-3-pyridinyl)-7-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione (CID 162370672) is 1-(4-methyl-3-pyridinyl)-7-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-methyl-3-pyridinyl)-7-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(4-methyl-3-pyridinyl)-7-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione is Cc1ccncc1N1C(=O)NC(=O)C2CCC(C(F)(F)F)NC21.
What is the InChIKey of 1-(4-methyl-3-pyridinyl)-7-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is VIFQGDBUNGOEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c1-7-4-5-18-6-9(7)21-11-8(12(22)20-13(21)23)2-3-10(19-11)14(15,16)17/h4-6,8,10-11,19H,2-3H2,1H3,(H,20,22,23).
What are the key properties of 1-(4-methyl-3-pyridinyl)-7-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione?
1-(4-methyl-3-pyridinyl)-7-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 328.29 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-pyridinyl)-7-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 162370672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).