3-[5-[2-(azetidin-1-yl)-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]thiophen-2-yl]oxetan-3-amine;fluoroform

C18H19F5N4OS — CID 165396690

IUPAC3-[5-[2-(azetidin-1-yl)-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]thiophen-2-yl]oxetan-3-amine;fluoroform
SMILESFC(F)F.NC1(c2ccc(-c3nc(N4CCC4)nc4c3CCC4(F)F)s2)COC1
InChIInChI=1S/C17H18F2N4OS.CHF3/c18-17(19)5-4-10-13(21-15(22-14(10)17)23-6-1-7-23)11-2-3-12(25-11)16(20)8-24-9-16;2-1(3)4/h2-3H,1,4-9,20H2;1H
InChIKeyRLZRFRFTEWVVEJ-UHFFFAOYSA-N
MW434.43 g/mol
LogP3.82
Rot. Bonds3

About 3-[5-[2-(azetidin-1-yl)-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]thiophen-2-yl]oxetan-3-amine;fluoroform

3-[5-[2-(azetidin-1-yl)-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]thiophen-2-yl]oxetan-3-amine;fluoroform (PubChem CID 165396690) has the molecular formula C18H19F5N4OS and a molecular weight of 434.43 g/mol. Its IUPAC name is 3-[5-[2-(azetidin-1-yl)-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]thiophen-2-yl]oxetan-3-amine;fluoroform.

Molecular Properties

Compound Name3-[5-[2-(azetidin-1-yl)-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]thiophen-2-yl]oxetan-3-amine;fluoroform
PubChem CID165396690
Molecular FormulaC18H19F5N4OS
Molecular Weight434.43 g/mol
Exact Mass434.12
IUPAC Name3-[5-[2-(azetidin-1-yl)-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]thiophen-2-yl]oxetan-3-amine;fluoroform
SMILESFC(F)F.NC1(c2ccc(-c3nc(N4CCC4)nc4c3CCC4(F)F)s2)COC1
InChIInChI=1S/C17H18F2N4OS.CHF3/c18-17(19)5-4-10-13(21-15(22-14(10)17)23-6-1-7-23)11-2-3-12(25-11)16(20)8-24-9-16;2-1(3)4/h2-3H,1,4-9,20H2;1H
InChIKeyRLZRFRFTEWVVEJ-UHFFFAOYSA-N
XLogP3.82
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-[2-(azetidin-1-yl)-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]thiophen-2-yl]oxetan-3-amine;fluoroform with MolForge

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Related Compounds

acetonitrile;[4-[2-(azetidin-1-yl)-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]phenyl]methanamine;fluoroform
CID 165396674
1-[4-[4-(3-aminooxetan-3-yl)phenyl]-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-2-yl]azetidin-3-ol
CID 165395845
3-[4-[2-(2-cyclobutylazetidin-1-yl)-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]phenyl]oxetan-3-amine
CID 165396266
3-[4-[7,7-difluoro-2-[(2S)-2-methylpyrrolidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]phenyl]oxetan-3-amine
CID 165396646
3-[4-[7,7-difluoro-2-[(2R)-2-(trifluoromethyl)azetidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-2-methylphenyl]oxetan-3-amine
CID 165396132
1-[4-[2-(azetidin-1-yl)-7-fluoro-7-methyl-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-2-methylphenyl]cyclobutan-1-amine;1,1-difluoroethane
CID 165396232
3-[4-[2-[(2R)-2-(difluoromethyl)azetidin-1-yl]-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]phenyl]-1,1-dioxothietan-3-amine
CID 165396920
(2S,3R)-1-[4-[4-(4-aminooxan-4-yl)phenyl]-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol
CID 165397213
1-(7,7-difluoro-4-spiro[3,4-dihydro-2H-isoquinoline-1,3'-oxetane]-6-yl-5,6-dihydrocyclopenta[d]pyrimidin-2-yl)azetidin-3-ol
CID 165396668
4-(3,4-dihydro-1H-isochromen-7-yl)-7,7-difluoro-2-(3-fluoroazetidin-1-yl)-5,6-dihydrocyclopenta[d]pyrimidine;S-methylthiohydroxylamine
CID 165396764
3-[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-ethylphenyl]oxetan-3-amine
CID 167207585
4-[7,7-difluoro-2-[(2S)-2-methylazetidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]benzamide
CID 165396617

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(azetidin-1-yl)-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]thiophen-2-yl]oxetan-3-amine;fluoroform?
The IUPAC name of 3-[5-[2-(azetidin-1-yl)-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]thiophen-2-yl]oxetan-3-amine;fluoroform (CID 165396690) is 3-[5-[2-(azetidin-1-yl)-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]thiophen-2-yl]oxetan-3-amine;fluoroform.
What is the SMILES notation for 3-[5-[2-(azetidin-1-yl)-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]thiophen-2-yl]oxetan-3-amine;fluoroform?
The canonical SMILES for 3-[5-[2-(azetidin-1-yl)-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]thiophen-2-yl]oxetan-3-amine;fluoroform is FC(F)F.NC1(c2ccc(-c3nc(N4CCC4)nc4c3CCC4(F)F)s2)COC1.
What is the InChIKey of 3-[5-[2-(azetidin-1-yl)-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]thiophen-2-yl]oxetan-3-amine;fluoroform?
The InChIKey is RLZRFRFTEWVVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4OS.CHF3/c18-17(19)5-4-10-13(21-15(22-14(10)17)23-6-1-7-23)11-2-3-12(25-11)16(20)8-24-9-16;2-1(3)4/h2-3H,1,4-9,20H2;1H.
What are the key properties of 3-[5-[2-(azetidin-1-yl)-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]thiophen-2-yl]oxetan-3-amine;fluoroform?
3-[5-[2-(azetidin-1-yl)-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]thiophen-2-yl]oxetan-3-amine;fluoroform has a molecular weight of 434.43 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(azetidin-1-yl)-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]thiophen-2-yl]oxetan-3-amine;fluoroform is sourced from PubChem (CID 165396690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).