2-(2-methylazetidin-1-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C18H19N7 — CID 175506598

IUPAC2-(2-methylazetidin-1-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCC1CCN1c1nc2c(c(-c3cccc(-c4nn[nH]n4)c3)n1)CCC2
InChIInChI=1S/C18H19N7/c1-11-8-9-25(11)18-19-15-7-3-6-14(15)16(20-18)12-4-2-5-13(10-12)17-21-23-24-22-17/h2,4-5,10-11H,3,6-9H2,1H3,(H,21,22,23,24)
InChIKeyQZKFMOWBSSGEIR-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.41
Rot. Bonds3

About 2-(2-methylazetidin-1-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2-(2-methylazetidin-1-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 175506598) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-(2-methylazetidin-1-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-(2-methylazetidin-1-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID175506598
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name2-(2-methylazetidin-1-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCC1CCN1c1nc2c(c(-c3cccc(-c4nn[nH]n4)c3)n1)CCC2
InChIInChI=1S/C18H19N7/c1-11-8-9-25(11)18-19-15-7-3-6-14(15)16(20-18)12-4-2-5-13(10-12)17-21-23-24-22-17/h2,4-5,10-11H,3,6-9H2,1H3,(H,21,22,23,24)
InChIKeyQZKFMOWBSSGEIR-UHFFFAOYSA-N
XLogP2.41
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-Butyl-4,6-Dimethyl-N-{[2'-(2h-Tetrazol-5-Yl)biphenyl-4-Yl]methyl}pyrimidin-2-Amine
CID 15658026
2-methyl-3-phenyl-8-(pyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidine
CID 1845979
N-[2-(dimethylamino)ethyl]-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.0^{3,7}]dodeca-2,7,9,11-tetraen-2-amine
CID 1862402
N-butyl-2,6-dimethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-4-amine
CID 15658029
10-(2,5-dimethylphenyl)-11-methyl-N-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 22177795
10-(2,4-dimethylphenyl)-11-methyl-N-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 22177924
2-ethyl-5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22431832
N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2006272
2-Methyl-3-phenyl-5-propyl-7-(pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 666759
N-isobutyl-2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine
CID 1868179
N-butyl-2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine
CID 1872862
N,N-dimethyl-N'-(2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-yl)propane-1,3-diamine
CID 1970240

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylazetidin-1-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-(2-methylazetidin-1-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 175506598) is 2-(2-methylazetidin-1-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-(2-methylazetidin-1-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-(2-methylazetidin-1-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is CC1CCN1c1nc2c(c(-c3cccc(-c4nn[nH]n4)c3)n1)CCC2.
What is the InChIKey of 2-(2-methylazetidin-1-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is QZKFMOWBSSGEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-11-8-9-25(11)18-19-15-7-3-6-14(15)16(20-18)12-4-2-5-13(10-12)17-21-23-24-22-17/h2,4-5,10-11H,3,6-9H2,1H3,(H,21,22,23,24).
What are the key properties of 2-(2-methylazetidin-1-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-(2-methylazetidin-1-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 333.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylazetidin-1-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 175506598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).