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

C19H22N4O — CID 165397236

IUPAC2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide
SMILESCc1ccc(-c2nc(N3CC[C@@H]3C)nc3c2CCC3)cc1C(N)=O
InChIInChI=1S/C19H22N4O/c1-11-6-7-13(10-15(11)18(20)24)17-14-4-3-5-16(14)21-19(22-17)23-9-8-12(23)2/h6-7,10,12H,3-5,8-9H2,1-2H3,(H2,20,24)/t12-/m0/s1
InChIKeyLWJRYIFIFPGACE-LBPRGKRZSA-N
MW322.41 g/mol
LogP2.64
Rot. Bonds3

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

2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide (PubChem CID 165397236) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide
PubChem CID165397236
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide
SMILESCc1ccc(-c2nc(N3CC[C@@H]3C)nc3c2CCC3)cc1C(N)=O
InChIInChI=1S/C19H22N4O/c1-11-6-7-13(10-15(11)18(20)24)17-14-4-3-5-16(14)21-19(22-17)23-9-8-12(23)2/h6-7,10,12H,3-5,8-9H2,1-2H3,(H2,20,24)/t12-/m0/s1
InChIKeyLWJRYIFIFPGACE-LBPRGKRZSA-N
XLogP2.64
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide?
The IUPAC name of 2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide (CID 165397236) is 2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide.
What is the SMILES notation for 2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide?
The canonical SMILES for 2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide is Cc1ccc(-c2nc(N3CC[C@@H]3C)nc3c2CCC3)cc1C(N)=O.
What is the InChIKey of 2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide?
The InChIKey is LWJRYIFIFPGACE-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H22N4O/c1-11-6-7-13(10-15(11)18(20)24)17-14-4-3-5-16(14)21-19(22-17)23-9-8-12(23)2/h6-7,10,12H,3-5,8-9H2,1-2H3,(H2,20,24)/t12-/m0/s1.
What are the key properties of 2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide?
2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide has a molecular weight of 322.41 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide is sourced from PubChem (CID 165397236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).