2-[(2S)-2-methylazetidin-1-yl]-4-(1-methylimidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C15H19N5 — CID 165396352

IUPAC2-[(2S)-2-methylazetidin-1-yl]-4-(1-methylimidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESC[C@H]1CCN1c1nc2c(c(-c3nccn3C)n1)CCC2
InChIInChI=1S/C15H19N5/c1-10-6-8-20(10)15-17-12-5-3-4-11(12)13(18-15)14-16-7-9-19(14)2/h7,9-10H,3-6,8H2,1-2H3/t10-/m0/s1
InChIKeyCTEXGTHGEGQVFP-JTQLQIEISA-N
MW269.35 g/mol
LogP1.96
Rot. Bonds2

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

2-[(2S)-2-methylazetidin-1-yl]-4-(1-methylimidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 165396352) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[(2S)-2-methylazetidin-1-yl]-4-(1-methylimidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-[(2S)-2-methylazetidin-1-yl]-4-(1-methylimidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID165396352
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name2-[(2S)-2-methylazetidin-1-yl]-4-(1-methylimidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESC[C@H]1CCN1c1nc2c(c(-c3nccn3C)n1)CCC2
InChIInChI=1S/C15H19N5/c1-10-6-8-20(10)15-17-12-5-3-4-11(12)13(18-15)14-16-7-9-19(14)2/h7,9-10H,3-6,8H2,1-2H3/t10-/m0/s1
InChIKeyCTEXGTHGEGQVFP-JTQLQIEISA-N
XLogP1.96
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methylazetidin-1-yl]-4-(1-methylimidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-[(2S)-2-methylazetidin-1-yl]-4-(1-methylimidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 165396352) is 2-[(2S)-2-methylazetidin-1-yl]-4-(1-methylimidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-[(2S)-2-methylazetidin-1-yl]-4-(1-methylimidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-[(2S)-2-methylazetidin-1-yl]-4-(1-methylimidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is C[C@H]1CCN1c1nc2c(c(-c3nccn3C)n1)CCC2.
What is the InChIKey of 2-[(2S)-2-methylazetidin-1-yl]-4-(1-methylimidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is CTEXGTHGEGQVFP-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19N5/c1-10-6-8-20(10)15-17-12-5-3-4-11(12)13(18-15)14-16-7-9-19(14)2/h7,9-10H,3-6,8H2,1-2H3/t10-/m0/s1.
What are the key properties of 2-[(2S)-2-methylazetidin-1-yl]-4-(1-methylimidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-[(2S)-2-methylazetidin-1-yl]-4-(1-methylimidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 269.35 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methylazetidin-1-yl]-4-(1-methylimidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 165396352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).