2-(azetidin-1-yl)-4-(1H-imidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C13H15N5 — CID 165396376

IUPAC2-(azetidin-1-yl)-4-(1H-imidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1c[nH]c(-c2nc(N3CCC3)nc3c2CCC3)n1
InChIInChI=1S/C13H15N5/c1-3-9-10(4-1)16-13(18-7-2-8-18)17-11(9)12-14-5-6-15-12/h5-6H,1-4,7-8H2,(H,14,15)
InChIKeyMTPQYCXHRACTMB-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.57
Rot. Bonds2

About 2-(azetidin-1-yl)-4-(1H-imidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2-(azetidin-1-yl)-4-(1H-imidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 165396376) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-4-(1H-imidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-(azetidin-1-yl)-4-(1H-imidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID165396376
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name2-(azetidin-1-yl)-4-(1H-imidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1c[nH]c(-c2nc(N3CCC3)nc3c2CCC3)n1
InChIInChI=1S/C13H15N5/c1-3-9-10(4-1)16-13(18-7-2-8-18)17-11(9)12-14-5-6-15-12/h5-6H,1-4,7-8H2,(H,14,15)
InChIKeyMTPQYCXHRACTMB-UHFFFAOYSA-N
XLogP1.57
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-1-[4-[4-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol
CID 165396074
[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine
CID 165396541
6-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-3-carboxamide
CID 167207352
4-phenyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline
CID 17035762
[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine
CID 165396314
7-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 165397363
2-(azetidin-1-yl)-4-[3-(piperidin-1-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 165396343
5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 165396177
7-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]quinazoline-2,4-diamine
CID 165396067
3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-N-phenylbenzamide
CID 165396939
2-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]imidazo[5,1-b][1,3]thiazole-7-carboxamide
CID 165397407
5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indole-2-carbaldehyde;methanamine
CID 165396731

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-4-(1H-imidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-(azetidin-1-yl)-4-(1H-imidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 165396376) is 2-(azetidin-1-yl)-4-(1H-imidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-(azetidin-1-yl)-4-(1H-imidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-(azetidin-1-yl)-4-(1H-imidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is c1c[nH]c(-c2nc(N3CCC3)nc3c2CCC3)n1.
What is the InChIKey of 2-(azetidin-1-yl)-4-(1H-imidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is MTPQYCXHRACTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-3-9-10(4-1)16-13(18-7-2-8-18)17-11(9)12-14-5-6-15-12/h5-6H,1-4,7-8H2,(H,14,15).
What are the key properties of 2-(azetidin-1-yl)-4-(1H-imidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-(azetidin-1-yl)-4-(1H-imidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 241.30 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-4-(1H-imidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 165396376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).