3-methyl-7-(1,3,5-triazin-2-yl)-4-(2,3,5-trimethylphenyl)-5H-cyclopenta[d]pyrimidin-3-ium

C20H20N5+ — CID 161128615

IUPAC3-methyl-7-(1,3,5-triazin-2-yl)-4-(2,3,5-trimethylphenyl)-5H-cyclopenta[d]pyrimidin-3-ium
SMILESCc1cc(C)c(C)c(-c2c3c(nc[n+]2C)C(c2ncncn2)=CC3)c1
InChIInChI=1S/C20H20N5/c1-12-7-13(2)14(3)17(8-12)19-15-5-6-16(18(15)24-11-25(19)4)20-22-9-21-10-23-20/h6-11H,5H2,1-4H3/q+1
InChIKeyQQXWWQYMAFEEHK-UHFFFAOYSA-N
MW330.42 g/mol
LogP2.67
Rot. Bonds2

About 3-methyl-7-(1,3,5-triazin-2-yl)-4-(2,3,5-trimethylphenyl)-5H-cyclopenta[d]pyrimidin-3-ium

3-methyl-7-(1,3,5-triazin-2-yl)-4-(2,3,5-trimethylphenyl)-5H-cyclopenta[d]pyrimidin-3-ium (PubChem CID 161128615) has the molecular formula C20H20N5+ and a molecular weight of 330.42 g/mol. Its IUPAC name is 3-methyl-7-(1,3,5-triazin-2-yl)-4-(2,3,5-trimethylphenyl)-5H-cyclopenta[d]pyrimidin-3-ium.

Molecular Properties

Compound Name3-methyl-7-(1,3,5-triazin-2-yl)-4-(2,3,5-trimethylphenyl)-5H-cyclopenta[d]pyrimidin-3-ium
PubChem CID161128615
Molecular FormulaC20H20N5+
Molecular Weight330.42 g/mol
Exact Mass330.17
IUPAC Name3-methyl-7-(1,3,5-triazin-2-yl)-4-(2,3,5-trimethylphenyl)-5H-cyclopenta[d]pyrimidin-3-ium
SMILESCc1cc(C)c(C)c(-c2c3c(nc[n+]2C)C(c2ncncn2)=CC3)c1
InChIInChI=1S/C20H20N5/c1-12-7-13(2)14(3)17(8-12)19-15-5-6-16(18(15)24-11-25(19)4)20-22-9-21-10-23-20/h6-11H,5H2,1-4H3/q+1
InChIKeyQQXWWQYMAFEEHK-UHFFFAOYSA-N
XLogP2.67
TPSA55.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-methyl-7-(1,3,5-triazin-2-yl)-4-(2,3,5-trimethylphenyl)-5H-cyclopenta[d]pyrimidin-3-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[5-(2,2-dimethylpropyl)pyrazin-2-yl]-3-methyl-4-(2,3,5-trimethylphenyl)-5H-cyclopenta[d]pyrimidin-3-ium
CID 158606850
5-methyl-6-(2,3,5-trimethylphenyl)-3,11-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 157214923
7,18-dimethyl-8-(2,3,5-trimethylphenyl)-5-aza-7-azoniapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
CID 159757647
6-(2,5-dimethylphenyl)-5-methyl-3,11-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 159715529
3-methyl-6-[5-(2-methylpropyl)pyrazin-2-yl]-4-(2,3,5-trimethylphenyl)-5H-cyclopenta[d]pyrimidin-3-ium
CID 158549485
7,19-dimethyl-8-(2,3,5-trimethylphenyl)-2-aza-7-azoniapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 158883269
2-(4,6-dimethyl-3H-inden-1-yl)-6-fluoroquinoline
CID 148610022
6,8,15-trimethyl-5-(2,3,5-trimethylphenyl)-7-aza-6-azoniapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 160811505
7,15-dimethyl-8-(2,3,5-trimethylphenyl)-2-aza-7-azoniapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
CID 159085700
2-methyl-6,7-di(propan-2-yl)-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium
CID 123915658
cyclopropyl-dimethyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]silane
CID 155637695
11-methyl-12-(2,3,5-trimethylphenyl)-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 158489946

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(1,3,5-triazin-2-yl)-4-(2,3,5-trimethylphenyl)-5H-cyclopenta[d]pyrimidin-3-ium?
The IUPAC name of 3-methyl-7-(1,3,5-triazin-2-yl)-4-(2,3,5-trimethylphenyl)-5H-cyclopenta[d]pyrimidin-3-ium (CID 161128615) is 3-methyl-7-(1,3,5-triazin-2-yl)-4-(2,3,5-trimethylphenyl)-5H-cyclopenta[d]pyrimidin-3-ium.
What is the SMILES notation for 3-methyl-7-(1,3,5-triazin-2-yl)-4-(2,3,5-trimethylphenyl)-5H-cyclopenta[d]pyrimidin-3-ium?
The canonical SMILES for 3-methyl-7-(1,3,5-triazin-2-yl)-4-(2,3,5-trimethylphenyl)-5H-cyclopenta[d]pyrimidin-3-ium is Cc1cc(C)c(C)c(-c2c3c(nc[n+]2C)C(c2ncncn2)=CC3)c1.
What is the InChIKey of 3-methyl-7-(1,3,5-triazin-2-yl)-4-(2,3,5-trimethylphenyl)-5H-cyclopenta[d]pyrimidin-3-ium?
The InChIKey is QQXWWQYMAFEEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N5/c1-12-7-13(2)14(3)17(8-12)19-15-5-6-16(18(15)24-11-25(19)4)20-22-9-21-10-23-20/h6-11H,5H2,1-4H3/q+1.
What are the key properties of 3-methyl-7-(1,3,5-triazin-2-yl)-4-(2,3,5-trimethylphenyl)-5H-cyclopenta[d]pyrimidin-3-ium?
3-methyl-7-(1,3,5-triazin-2-yl)-4-(2,3,5-trimethylphenyl)-5H-cyclopenta[d]pyrimidin-3-ium has a molecular weight of 330.42 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(1,3,5-triazin-2-yl)-4-(2,3,5-trimethylphenyl)-5H-cyclopenta[d]pyrimidin-3-ium is sourced from PubChem (CID 161128615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).