N-[3-[2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]acetamide

C19H22N4O2 — CID 165397469

IUPACN-[3-[2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc(N3C[C@@H](O)[C@@H]3C)nc3c2CCC3)c1
InChIInChI=1S/C19H22N4O2/c1-11-17(25)10-23(11)19-21-16-8-4-7-15(16)18(22-19)13-5-3-6-14(9-13)20-12(2)24/h3,5-6,9,11,17,25H,4,7-8,10H2,1-2H3,(H,20,24)/t11-,17+/m0/s1
InChIKeyCWRFETPBXHIXLA-APPDUMDISA-N
MW338.41 g/mol
LogP2.16
Rot. Bonds3

About N-[3-[2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]acetamide

N-[3-[2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]acetamide (PubChem CID 165397469) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[3-[2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]acetamide
PubChem CID165397469
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[3-[2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc(N3C[C@@H](O)[C@@H]3C)nc3c2CCC3)c1
InChIInChI=1S/C19H22N4O2/c1-11-17(25)10-23(11)19-21-16-8-4-7-15(16)18(22-19)13-5-3-6-14(9-13)20-12(2)24/h3,5-6,9,11,17,25H,4,7-8,10H2,1-2H3,(H,20,24)/t11-,17+/m0/s1
InChIKeyCWRFETPBXHIXLA-APPDUMDISA-N
XLogP2.16
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]acetamide (CID 165397469) is N-[3-[2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2nc(N3C[C@@H](O)[C@@H]3C)nc3c2CCC3)c1.
What is the InChIKey of N-[3-[2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]acetamide?
The InChIKey is CWRFETPBXHIXLA-APPDUMDISA-N. The full InChI is InChI=1S/C19H22N4O2/c1-11-17(25)10-23(11)19-21-16-8-4-7-15(16)18(22-19)13-5-3-6-14(9-13)20-12(2)24/h3,5-6,9,11,17,25H,4,7-8,10H2,1-2H3,(H,20,24)/t11-,17+/m0/s1.
What are the key properties of N-[3-[2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]acetamide?
N-[3-[2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 165397469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).