4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C11H11ClN4 — CID 66118296

IUPAC4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCn1cncc1-c1nc(Cl)c2c(n1)CCC2
InChIInChI=1S/C11H11ClN4/c1-16-6-13-5-9(16)11-14-8-4-2-3-7(8)10(12)15-11/h5-6H,2-4H2,1H3
InChIKeyJTRGUXJUXDSOIC-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.02
Rot. Bonds1

About 4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 66118296) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID66118296
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCn1cncc1-c1nc(Cl)c2c(n1)CCC2
InChIInChI=1S/C11H11ClN4/c1-16-6-13-5-9(16)11-14-8-4-2-3-7(8)10(12)15-11/h5-6H,2-4H2,1H3
InChIKeyJTRGUXJUXDSOIC-UHFFFAOYSA-N
XLogP2.02
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

US12410160, Example 394
CID 165396352
3-(7-Methylimidazo[1,2-a]pyrimidin-6-yl)propan-1-amine
CID 101797158
2-{4-[(1-isopropyl-1H-imidazol-2-yl)methyl]piperazin-1-yl}-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 56720767
1,8,10-Triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 22224463
4-Chloro-2-imidazol-1-yl-6-propan-2-ylpyrimidine
CID 22487794
7-Chloro-5-propan-2-ylimidazo[1,2-a]pyrimidine
CID 58332152
2-Chloro-N-(1-methyl-1H-imidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 58398870
11-Tert-butyl-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 59229700
10,12-Dichloro-3,6,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaene
CID 59239391
3,3,5,5-Tetramethyl-4-propan-2-yl-1,4,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 59596034
3,3,5,5-Tetramethyl-4-propan-2-yl-1,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 59596041
4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 59728148

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 66118296) is 4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Cn1cncc1-c1nc(Cl)c2c(n1)CCC2.
What is the InChIKey of 4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is JTRGUXJUXDSOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c1-16-6-13-5-9(16)11-14-8-4-2-3-7(8)10(12)15-11/h5-6H,2-4H2,1H3.
What are the key properties of 4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 234.69 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 66118296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).