4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide

C18H20N4O — CID 171059174

IUPAC4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide
SMILESCC1CCN1c1nc2c(c(-c3ccc(C(N)=O)cc3)n1)CCC2
InChIInChI=1S/C18H20N4O/c1-11-9-10-22(11)18-20-15-4-2-3-14(15)16(21-18)12-5-7-13(8-6-12)17(19)23/h5-8,11H,2-4,9-10H2,1H3,(H2,19,23)
InChIKeySLTRTHWSXPODKH-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.33
Rot. Bonds3

About 4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide

4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide (PubChem CID 171059174) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide
PubChem CID171059174
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide
SMILESCC1CCN1c1nc2c(c(-c3ccc(C(N)=O)cc3)n1)CCC2
InChIInChI=1S/C18H20N4O/c1-11-9-10-22(11)18-20-15-4-2-3-14(15)16(21-18)12-5-7-13(8-6-12)17(19)23/h5-8,11H,2-4,9-10H2,1H3,(H2,19,23)
InChIKeySLTRTHWSXPODKH-UHFFFAOYSA-N
XLogP2.33
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide
CID 167408875
2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide
CID 165397236
5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridin-2-amine
CID 165396801
4-[7,7-difluoro-2-[(2S)-2-methylazetidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]benzamide
CID 165396617
(1R,1aR,6aS)-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide
CID 167207156
2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide
CID 165396533
4-[2-[(2S)-3-fluoro-2-(2-methylpropyl)azetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide
CID 165397266
3-[4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyrazol-1-yl]propanoic acid
CID 165396479
5-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazole
CID 175506591
2-[(2S)-2-methylazetidin-1-yl]-4-(6-phenyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 165396811
6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-benzothiazol-2-amine
CID 165395931
2-(2-methylazetidin-1-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 175506598

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide?
The IUPAC name of 4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide (CID 171059174) is 4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide.
What is the SMILES notation for 4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide?
The canonical SMILES for 4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide is CC1CCN1c1nc2c(c(-c3ccc(C(N)=O)cc3)n1)CCC2.
What is the InChIKey of 4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide?
The InChIKey is SLTRTHWSXPODKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-11-9-10-22(11)18-20-15-4-2-3-14(15)16(21-18)12-5-7-13(8-6-12)17(19)23/h5-8,11H,2-4,9-10H2,1H3,(H2,19,23).
What are the key properties of 4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide?
4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide has a molecular weight of 308.38 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide is sourced from PubChem (CID 171059174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).