[3-[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]cyclobutyl]methanol

C21H25N3O — CID 165397416

IUPAC[3-[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]cyclobutyl]methanol
SMILESOCC1CC(c2cccc(-c3nc(N4CCC4)nc4c3CCC4)c2)C1
InChIInChI=1S/C21H25N3O/c25-13-14-10-17(11-14)15-4-1-5-16(12-15)20-18-6-2-7-19(18)22-21(23-20)24-8-3-9-24/h1,4-5,12,14,17,25H,2-3,6-11,13H2
InChIKeyAHXNFADRKAXQFT-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.33
Rot. Bonds4

About [3-[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]cyclobutyl]methanol

[3-[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]cyclobutyl]methanol (PubChem CID 165397416) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is [3-[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[3-[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]cyclobutyl]methanol
PubChem CID165397416
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name[3-[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]cyclobutyl]methanol
SMILESOCC1CC(c2cccc(-c3nc(N4CCC4)nc4c3CCC4)c2)C1
InChIInChI=1S/C21H25N3O/c25-13-14-10-17(11-14)15-4-1-5-16(12-15)20-18-6-2-7-19(18)22-21(23-20)24-8-3-9-24/h1,4-5,12,14,17,25H,2-3,6-11,13H2
InChIKeyAHXNFADRKAXQFT-UHFFFAOYSA-N
XLogP3.33
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]cyclobutyl]methanol?
The IUPAC name of [3-[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]cyclobutyl]methanol (CID 165397416) is [3-[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]cyclobutyl]methanol.
What is the SMILES notation for [3-[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]cyclobutyl]methanol?
The canonical SMILES for [3-[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]cyclobutyl]methanol is OCC1CC(c2cccc(-c3nc(N4CCC4)nc4c3CCC4)c2)C1.
What is the InChIKey of [3-[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]cyclobutyl]methanol?
The InChIKey is AHXNFADRKAXQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c25-13-14-10-17(11-14)15-4-1-5-16(12-15)20-18-6-2-7-19(18)22-21(23-20)24-8-3-9-24/h1,4-5,12,14,17,25H,2-3,6-11,13H2.
What are the key properties of [3-[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]cyclobutyl]methanol?
[3-[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]cyclobutyl]methanol has a molecular weight of 335.45 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]cyclobutyl]methanol is sourced from PubChem (CID 165397416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).