5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-dimethyl-2-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-one

C24H25F3N4O2 — CID 21018508

IUPAC5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-dimethyl-2-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-one
SMILESCCOC1Cc2ccccc2C1Nc1c(C)nc(-c2cnc(C(F)(F)F)cc2C)n(C)c1=O
InChIInChI=1S/C24H25F3N4O2/c1-5-33-18-11-15-8-6-7-9-16(15)21(18)30-20-14(3)29-22(31(4)23(20)32)17-12-28-19(10-13(17)2)24(25,26)27/h6-10,12,18,21,30H,5,11H2,1-4H3
InChIKeyTWAJUYFKQBBKKK-UHFFFAOYSA-N
MW458.48 g/mol
LogP4.59
Rot. Bonds5

About 5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-dimethyl-2-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-one

5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-dimethyl-2-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-one (PubChem CID 21018508) has the molecular formula C24H25F3N4O2 and a molecular weight of 458.48 g/mol. Its IUPAC name is 5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-dimethyl-2-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-dimethyl-2-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-one
PubChem CID21018508
Molecular FormulaC24H25F3N4O2
Molecular Weight458.48 g/mol
Exact Mass458.19
IUPAC Name5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-dimethyl-2-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-one
SMILESCCOC1Cc2ccccc2C1Nc1c(C)nc(-c2cnc(C(F)(F)F)cc2C)n(C)c1=O
InChIInChI=1S/C24H25F3N4O2/c1-5-33-18-11-15-8-6-7-9-16(15)21(18)30-20-14(3)29-22(31(4)23(20)32)17-12-28-19(10-13(17)2)24(25,26)27/h6-10,12,18,21,30H,5,11H2,1-4H3
InChIKeyTWAJUYFKQBBKKK-UHFFFAOYSA-N
XLogP4.59
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-dimethyl-2-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-one?
The IUPAC name of 5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-dimethyl-2-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-one (CID 21018508) is 5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-dimethyl-2-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-one.
What is the SMILES notation for 5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-dimethyl-2-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-one?
The canonical SMILES for 5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-dimethyl-2-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-one is CCOC1Cc2ccccc2C1Nc1c(C)nc(-c2cnc(C(F)(F)F)cc2C)n(C)c1=O.
What is the InChIKey of 5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-dimethyl-2-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-one?
The InChIKey is TWAJUYFKQBBKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2/c1-5-33-18-11-15-8-6-7-9-16(15)21(18)30-20-14(3)29-22(31(4)23(20)32)17-12-28-19(10-13(17)2)24(25,26)27/h6-10,12,18,21,30H,5,11H2,1-4H3.
What are the key properties of 5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-dimethyl-2-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-one?
5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-dimethyl-2-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-one has a molecular weight of 458.48 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-dimethyl-2-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-one is sourced from PubChem (CID 21018508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).