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

C19H19N5O2 — CID 165396651

IUPAC6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-quinazoline-2,4-dione
SMILESC[C@H]1CCN1c1nc2c(c(-c3ccc4[nH]c(=O)[nH]c(=O)c4c3)n1)CCC2
InChIInChI=1S/C19H19N5O2/c1-10-7-8-24(10)18-20-14-4-2-3-12(14)16(22-18)11-5-6-15-13(9-11)17(25)23-19(26)21-15/h5-6,9-10H,2-4,7-8H2,1H3,(H2,21,23,25,26)/t10-/m0/s1
InChIKeyHMOIZOADOYGXMK-JTQLQIEISA-N
MW349.39 g/mol
LogP1.76
Rot. Bonds2

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

6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-quinazoline-2,4-dione (PubChem CID 165396651) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-quinazoline-2,4-dione
PubChem CID165396651
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-quinazoline-2,4-dione
SMILESC[C@H]1CCN1c1nc2c(c(-c3ccc4[nH]c(=O)[nH]c(=O)c4c3)n1)CCC2
InChIInChI=1S/C19H19N5O2/c1-10-7-8-24(10)18-20-14-4-2-3-12(14)16(22-18)11-5-6-15-13(9-11)17(25)23-19(26)21-15/h5-6,9-10H,2-4,7-8H2,1H3,(H2,21,23,25,26)/t10-/m0/s1
InChIKeyHMOIZOADOYGXMK-JTQLQIEISA-N
XLogP1.76
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-quinazoline-2,4-dione?
The IUPAC name of 6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-quinazoline-2,4-dione (CID 165396651) is 6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-quinazoline-2,4-dione is C[C@H]1CCN1c1nc2c(c(-c3ccc4[nH]c(=O)[nH]c(=O)c4c3)n1)CCC2.
What is the InChIKey of 6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-quinazoline-2,4-dione?
The InChIKey is HMOIZOADOYGXMK-JTQLQIEISA-N. The full InChI is InChI=1S/C19H19N5O2/c1-10-7-8-24(10)18-20-14-4-2-3-12(14)16(22-18)11-5-6-15-13(9-11)17(25)23-19(26)21-15/h5-6,9-10H,2-4,7-8H2,1H3,(H2,21,23,25,26)/t10-/m0/s1.
What are the key properties of 6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-quinazoline-2,4-dione?
6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-quinazoline-2,4-dione has a molecular weight of 349.39 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 165396651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).