8-cyclopentyl-5-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]pteridine-6,7-dione

C20H22N6O2 — CID 154640810

IUPAC8-cyclopentyl-5-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]pteridine-6,7-dione
SMILESCc1cccc(/C=N/Nc2ncc3c(n2)n(C2CCCC2)c(=O)c(=O)n3C)c1
InChIInChI=1S/C20H22N6O2/c1-13-6-5-7-14(10-13)11-22-24-20-21-12-16-17(23-20)26(15-8-3-4-9-15)19(28)18(27)25(16)2/h5-7,10-12,15H,3-4,8-9H2,1-2H3,(H,21,23,24)/b22-11+
InChIKeyCVPGNHQIPQDFHU-SSDVNMTOSA-N
MW378.44 g/mol
LogP2.36
Rot. Bonds4

About 8-cyclopentyl-5-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]pteridine-6,7-dione

8-cyclopentyl-5-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]pteridine-6,7-dione (PubChem CID 154640810) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 8-cyclopentyl-5-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]pteridine-6,7-dione.

Molecular Properties

Compound Name8-cyclopentyl-5-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]pteridine-6,7-dione
PubChem CID154640810
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name8-cyclopentyl-5-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]pteridine-6,7-dione
SMILESCc1cccc(/C=N/Nc2ncc3c(n2)n(C2CCCC2)c(=O)c(=O)n3C)c1
InChIInChI=1S/C20H22N6O2/c1-13-6-5-7-14(10-13)11-22-24-20-21-12-16-17(23-20)26(15-8-3-4-9-15)19(28)18(27)25(16)2/h5-7,10-12,15H,3-4,8-9H2,1-2H3,(H,21,23,24)/b22-11+
InChIKeyCVPGNHQIPQDFHU-SSDVNMTOSA-N
XLogP2.36
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2-chloro-4-fluorophenyl)methylidene]hydrazinyl]-8-cyclopentyl-5-methylpteridine-6,7-dione
CID 154640813
8-cyclopentyl-2-hydrazinyl-5-methylpteridine-6,7-dione
CID 154640809
8-(4,4-difluorocyclohexyl)-5-methyl-2-[(6-methyl-1,3-benzodioxol-5-yl)amino]pteridine-6,7-dione
CID 164903227
9-cyclopentyl-7-methyl-2-(piperidin-4-ylamino)purin-8-one
CID 177341135
2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-5-methyl-8H-pteridine-6,7-dione
CID 154640795
5-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 2789180
2-N,4-N-bis[(3-methylphenyl)methylideneamino]pyrimidine-2,4,6-triamine
CID 66684301
2-N,4-N-bis[(E)-(3-methylphenyl)methylideneamino]pyrimidine-2,4,6-triamine
CID 11537766
2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
CID 6862558
8-cyclopentyl-7-ethyl-5-methyl-2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-7H-pteridin-6-one
CID 175354008
9-(1,5-dimethylpyrazol-3-yl)-8-methyl-N-[(3-methylphenyl)methylideneamino]purin-6-amine
CID 175967432
9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(3-methylphenyl)purine-2,8-diamine
CID 67574383

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-5-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]pteridine-6,7-dione?
The IUPAC name of 8-cyclopentyl-5-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]pteridine-6,7-dione (CID 154640810) is 8-cyclopentyl-5-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]pteridine-6,7-dione.
What is the SMILES notation for 8-cyclopentyl-5-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]pteridine-6,7-dione?
The canonical SMILES for 8-cyclopentyl-5-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]pteridine-6,7-dione is Cc1cccc(/C=N/Nc2ncc3c(n2)n(C2CCCC2)c(=O)c(=O)n3C)c1.
What is the InChIKey of 8-cyclopentyl-5-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]pteridine-6,7-dione?
The InChIKey is CVPGNHQIPQDFHU-SSDVNMTOSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-13-6-5-7-14(10-13)11-22-24-20-21-12-16-17(23-20)26(15-8-3-4-9-15)19(28)18(27)25(16)2/h5-7,10-12,15H,3-4,8-9H2,1-2H3,(H,21,23,24)/b22-11+.
What are the key properties of 8-cyclopentyl-5-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]pteridine-6,7-dione?
8-cyclopentyl-5-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]pteridine-6,7-dione has a molecular weight of 378.44 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-5-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]pteridine-6,7-dione is sourced from PubChem (CID 154640810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).