6-cyclopropyl-N-[3-[2-(trifluoromethyl)morpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C23H24F3N5O2 — CID 167482508

IUPAC6-cyclopropyl-N-[3-[2-(trifluoromethyl)morpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)C1CN(C2COc3ccccc3C2Nc2ncnc3[nH]c(C4CC4)cc23)CCO1
InChIInChI=1S/C23H24F3N5O2/c24-23(25,26)19-10-31(7-8-32-19)17-11-33-18-4-2-1-3-14(18)20(17)30-22-15-9-16(13-5-6-13)29-21(15)27-12-28-22/h1-4,9,12-13,17,19-20H,5-8,10-11H2,(H2,27,28,29,30)
InChIKeyQGMNQELQBNTRNF-UHFFFAOYSA-N
MW459.47 g/mol
LogP4.01
Rot. Bonds4

About 6-cyclopropyl-N-[3-[2-(trifluoromethyl)morpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

6-cyclopropyl-N-[3-[2-(trifluoromethyl)morpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 167482508) has the molecular formula C23H24F3N5O2 and a molecular weight of 459.47 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3-[2-(trifluoromethyl)morpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-[3-[2-(trifluoromethyl)morpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID167482508
Molecular FormulaC23H24F3N5O2
Molecular Weight459.47 g/mol
Exact Mass459.19
IUPAC Name6-cyclopropyl-N-[3-[2-(trifluoromethyl)morpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)C1CN(C2COc3ccccc3C2Nc2ncnc3[nH]c(C4CC4)cc23)CCO1
InChIInChI=1S/C23H24F3N5O2/c24-23(25,26)19-10-31(7-8-32-19)17-11-33-18-4-2-1-3-14(18)20(17)30-22-15-9-16(13-5-6-13)29-21(15)27-12-28-22/h1-4,9,12-13,17,19-20H,5-8,10-11H2,(H2,27,28,29,30)
InChIKeyQGMNQELQBNTRNF-UHFFFAOYSA-N
XLogP4.01
TPSA75.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-cyclopropyl-N-[3-[2-(trifluoromethyl)morpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[3-(2-methylmorpholin-4-yl)-3,4-dihydro-2H-chromen-4-yl]-6-(oxetan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167482577
6-cyclopropyl-N-[(3R,4S)-3-[(3S)-3-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156838242
6-cyclopropyl-N-[(3S,4R)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156838104
6-cyclopropyl-N-[3-(oxetan-3-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156837791
N-[(4S)-3-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167482560
N-[(3R,4S)-3-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156837757
1-[4-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3,4-dihydro-2H-chromen-3-yl]azetidine-3-carbonitrile
CID 156838162
1-[[4-[(6-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,4-dihydro-2H-chromen-3-yl]oxy]-2-methylpropan-2-ol
CID 167482745
N-[3-[3-(difluoromethoxy)azetidin-1-yl]-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156837916
6-cyclopropyl-N-[(3R,4R)-3-(3-isocyano-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 172508665
6-cyclopropyl-N-[(3S)-3-(3-isocyano-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 172508659
N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 174168516

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[3-[2-(trifluoromethyl)morpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-[3-[2-(trifluoromethyl)morpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 167482508) is 6-cyclopropyl-N-[3-[2-(trifluoromethyl)morpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-[3-[2-(trifluoromethyl)morpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-[3-[2-(trifluoromethyl)morpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is FC(F)(F)C1CN(C2COc3ccccc3C2Nc2ncnc3[nH]c(C4CC4)cc23)CCO1.
What is the InChIKey of 6-cyclopropyl-N-[3-[2-(trifluoromethyl)morpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is QGMNQELQBNTRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O2/c24-23(25,26)19-10-31(7-8-32-19)17-11-33-18-4-2-1-3-14(18)20(17)30-22-15-9-16(13-5-6-13)29-21(15)27-12-28-22/h1-4,9,12-13,17,19-20H,5-8,10-11H2,(H2,27,28,29,30).
What are the key properties of 6-cyclopropyl-N-[3-[2-(trifluoromethyl)morpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-cyclopropyl-N-[3-[2-(trifluoromethyl)morpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 459.47 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[3-[2-(trifluoromethyl)morpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 167482508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).