2-methyl-4-pentan-3-yloxy-7-[2-pentan-3-yloxy-6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine

C23H31F3N4O2 — CID 69180754

IUPAC2-methyl-4-pentan-3-yloxy-7-[2-pentan-3-yloxy-6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine
SMILESCCC(CC)Oc1nc(C(F)(F)F)ccc1N1CCc2c(OC(CC)CC)nc(C)nc21
InChIInChI=1S/C23H31F3N4O2/c1-6-15(7-2)31-21-17-12-13-30(20(17)27-14(5)28-21)18-10-11-19(23(24,25)26)29-22(18)32-16(8-3)9-4/h10-11,15-16H,6-9,12-13H2,1-5H3
InChIKeySKIXQFAEIKJZJM-UHFFFAOYSA-N
MW452.52 g/mol
LogP6.03
Rot. Bonds9

About 2-methyl-4-pentan-3-yloxy-7-[2-pentan-3-yloxy-6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine

2-methyl-4-pentan-3-yloxy-7-[2-pentan-3-yloxy-6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine (PubChem CID 69180754) has the molecular formula C23H31F3N4O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is 2-methyl-4-pentan-3-yloxy-7-[2-pentan-3-yloxy-6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-pentan-3-yloxy-7-[2-pentan-3-yloxy-6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine
PubChem CID69180754
Molecular FormulaC23H31F3N4O2
Molecular Weight452.52 g/mol
Exact Mass452.24
IUPAC Name2-methyl-4-pentan-3-yloxy-7-[2-pentan-3-yloxy-6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine
SMILESCCC(CC)Oc1nc(C(F)(F)F)ccc1N1CCc2c(OC(CC)CC)nc(C)nc21
InChIInChI=1S/C23H31F3N4O2/c1-6-15(7-2)31-21-17-12-13-30(20(17)27-14(5)28-21)18-10-11-19(23(24,25)26)29-22(18)32-16(8-3)9-4/h10-11,15-16H,6-9,12-13H2,1-5H3
InChIKeySKIXQFAEIKJZJM-UHFFFAOYSA-N
XLogP6.03
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.52
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-pentan-3-yloxy-7-[2-pentan-3-yloxy-6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine with MolForge

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Related Compounds

ethyl 6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 90757804
8-[2,4-bis(trifluoromethyl)phenyl]-N-heptan-4-yl-2-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-4-amine
CID 87843052
[2-nonan-5-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 58873485
7-(2,4-dichlorophenyl)-4-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 10199452
3-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]oxy]pentyl-methylcarbamic acid
CID 91430167
2-ethoxy-3-iodo-6-(trifluoromethyl)pyridine
CID 131118413
3-[7-[2,4-bis(trifluoromethyl)phenyl]-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]-3-cyclopropyl-N-methylpropan-1-amine
CID 174471215
3-methyl-2-(2-methylpropoxy)-6-(trifluoromethyl)pyridine
CID 163554782
2-ethoxy-3,6-bis(trifluoromethyl)pyridine
CID 133095206
5-ethyl-2,4-dimethyl-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyrimidine
CID 163343882
ethane;2-methoxy-3-methyl-6-(trifluoromethyl)pyridine
CID 156750344
2-propan-2-yloxy-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79877639

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pentan-3-yloxy-7-[2-pentan-3-yloxy-6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-methyl-4-pentan-3-yloxy-7-[2-pentan-3-yloxy-6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine (CID 69180754) is 2-methyl-4-pentan-3-yloxy-7-[2-pentan-3-yloxy-6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-pentan-3-yloxy-7-[2-pentan-3-yloxy-6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-methyl-4-pentan-3-yloxy-7-[2-pentan-3-yloxy-6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine is CCC(CC)Oc1nc(C(F)(F)F)ccc1N1CCc2c(OC(CC)CC)nc(C)nc21.
What is the InChIKey of 2-methyl-4-pentan-3-yloxy-7-[2-pentan-3-yloxy-6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The InChIKey is SKIXQFAEIKJZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3N4O2/c1-6-15(7-2)31-21-17-12-13-30(20(17)27-14(5)28-21)18-10-11-19(23(24,25)26)29-22(18)32-16(8-3)9-4/h10-11,15-16H,6-9,12-13H2,1-5H3.
What are the key properties of 2-methyl-4-pentan-3-yloxy-7-[2-pentan-3-yloxy-6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine?
2-methyl-4-pentan-3-yloxy-7-[2-pentan-3-yloxy-6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine has a molecular weight of 452.52 g/mol, XLogP of 6.03, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pentan-3-yloxy-7-[2-pentan-3-yloxy-6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 69180754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).