3-methyl-4-(1-methylnaphthalen-2-yl)-5H-cyclopenta[d]pyrimidin-3-ium

C19H17N2+ — CID 159973513

IUPAC3-methyl-4-(1-methylnaphthalen-2-yl)-5H-cyclopenta[d]pyrimidin-3-ium
SMILESCc1c(-c2c3c(nc[n+]2C)C=CC3)ccc2ccccc12
InChIInChI=1S/C19H17N2/c1-13-15-7-4-3-6-14(15)10-11-16(13)19-17-8-5-9-18(17)20-12-21(19)2/h3-7,9-12H,8H2,1-2H3/q+1
InChIKeyANEBDBKBVQUPSJ-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.60
Rot. Bonds1

About 3-methyl-4-(1-methylnaphthalen-2-yl)-5H-cyclopenta[d]pyrimidin-3-ium

3-methyl-4-(1-methylnaphthalen-2-yl)-5H-cyclopenta[d]pyrimidin-3-ium (PubChem CID 159973513) has the molecular formula C19H17N2+ and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-methyl-4-(1-methylnaphthalen-2-yl)-5H-cyclopenta[d]pyrimidin-3-ium.

Molecular Properties

Compound Name3-methyl-4-(1-methylnaphthalen-2-yl)-5H-cyclopenta[d]pyrimidin-3-ium
PubChem CID159973513
Molecular FormulaC19H17N2+
Molecular Weight273.36 g/mol
Exact Mass273.14
IUPAC Name3-methyl-4-(1-methylnaphthalen-2-yl)-5H-cyclopenta[d]pyrimidin-3-ium
SMILESCc1c(-c2c3c(nc[n+]2C)C=CC3)ccc2ccccc12
InChIInChI=1S/C19H17N2/c1-13-15-7-4-3-6-14(15)10-11-16(13)19-17-8-5-9-18(17)20-12-21(19)2/h3-7,9-12H,8H2,1-2H3/q+1
InChIKeyANEBDBKBVQUPSJ-UHFFFAOYSA-N
XLogP3.60
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-(2-methylnaphthalen-1-yl)benzo[h]quinazolin-3-ium
CID 176812281
1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium
CID 59522858
2-methyl-1-[2-methyl-3-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-3-(1-methylnaphthalen-2-yl)naphthalene
CID 123673434
4-(2,3-dimethylphenyl)-3-methylquinazolin-3-ium
CID 170102494
1-methyl-2-(1-methylnaphthalen-2-yl)-3-(2-methylprop-1-enylsulfanyl)pyridin-1-ium-4-amine
CID 170194374
10-methyl-9-(1-methylnaphthalen-2-yl)-5,7-dithia-10-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene
CID 153422116
10-methyl-9-(1-methylnaphthalen-2-yl)-3,7-diselena-10-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene
CID 167427603
3-methyl-4-(2-methylphenyl)benzo[g]quinazolin-3-ium
CID 154594823
4-(2,5-dimethylphenyl)-3-methyl-8-pentan-3-ylquinazolin-3-ium
CID 123283178
2-(1-methylnaphthalen-2-yl)quinoline-3-carbonitrile
CID 58049919
15-(cyclopentylmethyl)-3,20-dimethyl-12-thia-18-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
CID 164723552
N-(2H-phenanthren-1-ylidene)hydroxylamine
CID 140978322

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-methylnaphthalen-2-yl)-5H-cyclopenta[d]pyrimidin-3-ium?
The IUPAC name of 3-methyl-4-(1-methylnaphthalen-2-yl)-5H-cyclopenta[d]pyrimidin-3-ium (CID 159973513) is 3-methyl-4-(1-methylnaphthalen-2-yl)-5H-cyclopenta[d]pyrimidin-3-ium.
What is the SMILES notation for 3-methyl-4-(1-methylnaphthalen-2-yl)-5H-cyclopenta[d]pyrimidin-3-ium?
The canonical SMILES for 3-methyl-4-(1-methylnaphthalen-2-yl)-5H-cyclopenta[d]pyrimidin-3-ium is Cc1c(-c2c3c(nc[n+]2C)C=CC3)ccc2ccccc12.
What is the InChIKey of 3-methyl-4-(1-methylnaphthalen-2-yl)-5H-cyclopenta[d]pyrimidin-3-ium?
The InChIKey is ANEBDBKBVQUPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N2/c1-13-15-7-4-3-6-14(15)10-11-16(13)19-17-8-5-9-18(17)20-12-21(19)2/h3-7,9-12H,8H2,1-2H3/q+1.
What are the key properties of 3-methyl-4-(1-methylnaphthalen-2-yl)-5H-cyclopenta[d]pyrimidin-3-ium?
3-methyl-4-(1-methylnaphthalen-2-yl)-5H-cyclopenta[d]pyrimidin-3-ium has a molecular weight of 273.36 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-methylnaphthalen-2-yl)-5H-cyclopenta[d]pyrimidin-3-ium is sourced from PubChem (CID 159973513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).