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

C20H24N4O — CID 167408875

IUPACN,N-dimethyl-4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide
SMILESCC1CCN1c1nc2c(c(-c3ccc(C(=O)N(C)C)cc3)n1)CCC2
InChIInChI=1S/C20H24N4O/c1-13-11-12-24(13)20-21-17-6-4-5-16(17)18(22-20)14-7-9-15(10-8-14)19(25)23(2)3/h7-10,13H,4-6,11-12H2,1-3H3
InChIKeyZITATEGMCRINHA-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.93
Rot. Bonds3

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

N,N-dimethyl-4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide (PubChem CID 167408875) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide
PubChem CID167408875
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN,N-dimethyl-4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide
SMILESCC1CCN1c1nc2c(c(-c3ccc(C(=O)N(C)C)cc3)n1)CCC2
InChIInChI=1S/C20H24N4O/c1-13-11-12-24(13)20-21-17-6-4-5-16(17)18(22-20)14-7-9-15(10-8-14)19(25)23(2)3/h7-10,13H,4-6,11-12H2,1-3H3
InChIKeyZITATEGMCRINHA-UHFFFAOYSA-N
XLogP2.93
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide?
The IUPAC name of N,N-dimethyl-4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide (CID 167408875) is N,N-dimethyl-4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide is CC1CCN1c1nc2c(c(-c3ccc(C(=O)N(C)C)cc3)n1)CCC2.
What is the InChIKey of N,N-dimethyl-4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide?
The InChIKey is ZITATEGMCRINHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-13-11-12-24(13)20-21-17-6-4-5-16(17)18(22-20)14-7-9-15(10-8-14)19(25)23(2)3/h7-10,13H,4-6,11-12H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide?
N,N-dimethyl-4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide has a molecular weight of 336.44 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide is sourced from PubChem (CID 167408875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).