6-N-cyclopentyl-2-N-[4-(1,2,5-diselenazepan-5-yl)phenyl]-7H-purine-2,6-diamine

C20H25N7Se2 — CID 158553885

IUPAC6-N-cyclopentyl-2-N-[4-(1,2,5-diselenazepan-5-yl)phenyl]-7H-purine-2,6-diamine
SMILESc1nc2nc(Nc3ccc(N4CC[Se][Se]CC4)cc3)nc(NC3CCCC3)c2[nH]1
InChIInChI=1S/C20H25N7Se2/c1-2-4-14(3-1)23-19-17-18(22-13-21-17)25-20(26-19)24-15-5-7-16(8-6-15)27-9-11-28-29-12-10-27/h5-8,13-14H,1-4,9-12H2,(H3,21,22,23,24,25,26)
InChIKeyAVZQFTOIRGCJKC-UHFFFAOYSA-N
MW521.39 g/mol
LogP3.43
Rot. Bonds5

About 6-N-cyclopentyl-2-N-[4-(1,2,5-diselenazepan-5-yl)phenyl]-7H-purine-2,6-diamine

6-N-cyclopentyl-2-N-[4-(1,2,5-diselenazepan-5-yl)phenyl]-7H-purine-2,6-diamine (PubChem CID 158553885) has the molecular formula C20H25N7Se2 and a molecular weight of 521.39 g/mol. Its IUPAC name is 6-N-cyclopentyl-2-N-[4-(1,2,5-diselenazepan-5-yl)phenyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclopentyl-2-N-[4-(1,2,5-diselenazepan-5-yl)phenyl]-7H-purine-2,6-diamine
PubChem CID158553885
Molecular FormulaC20H25N7Se2
Molecular Weight521.39 g/mol
Exact Mass523.05
IUPAC Name6-N-cyclopentyl-2-N-[4-(1,2,5-diselenazepan-5-yl)phenyl]-7H-purine-2,6-diamine
SMILESc1nc2nc(Nc3ccc(N4CC[Se][Se]CC4)cc3)nc(NC3CCCC3)c2[nH]1
InChIInChI=1S/C20H25N7Se2/c1-2-4-14(3-1)23-19-17-18(22-13-21-17)25-20(26-19)24-15-5-7-16(8-6-15)27-9-11-28-29-12-10-27/h5-8,13-14H,1-4,9-12H2,(H3,21,22,23,24,25,26)
InChIKeyAVZQFTOIRGCJKC-UHFFFAOYSA-N
XLogP3.43
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.39
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6-N-cyclopentyl-2-N-[4-(1,2,5-diselenazepan-5-yl)phenyl]-7H-purine-2,6-diamine with MolForge

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Related Compounds

2-N-[4-(1,2,5-diselenazepan-5-yl)phenyl]-6-N-(selenolan-3-yl)-7H-purine-2,6-diamine
CID 158553883
1-[4-[[2-(4-morpholin-4-ylanilino)-7H-purin-6-yl]amino]piperidin-1-yl]ethanone
CID 59160532
6-N-[(4S)-dithian-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine
CID 146282299
6-N-cyclopropyl-2-N-pyridin-4-yl-7H-purine-2,6-diamine
CID 25121463
6-N-cyclohexyl-2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;hydrochloride
CID 91895225
6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine
CID 114783648
2-N-(4-aminocyclohexyl)-6-N-cyclopentyl-7H-purine-2,6-diamine
CID 141001606
[4-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 70692558
8-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]phenoxy]-1-hydroxyoctan-2-one
CID 159019262
4-N-cyclobutyl-2-N-(4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 70657969
[1-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 70688375
6-N-cyclopropyl-2-N-quinolin-3-yl-7H-purine-2,6-diamine
CID 58774172

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopentyl-2-N-[4-(1,2,5-diselenazepan-5-yl)phenyl]-7H-purine-2,6-diamine?
The IUPAC name of 6-N-cyclopentyl-2-N-[4-(1,2,5-diselenazepan-5-yl)phenyl]-7H-purine-2,6-diamine (CID 158553885) is 6-N-cyclopentyl-2-N-[4-(1,2,5-diselenazepan-5-yl)phenyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-cyclopentyl-2-N-[4-(1,2,5-diselenazepan-5-yl)phenyl]-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-cyclopentyl-2-N-[4-(1,2,5-diselenazepan-5-yl)phenyl]-7H-purine-2,6-diamine is c1nc2nc(Nc3ccc(N4CC[Se][Se]CC4)cc3)nc(NC3CCCC3)c2[nH]1.
What is the InChIKey of 6-N-cyclopentyl-2-N-[4-(1,2,5-diselenazepan-5-yl)phenyl]-7H-purine-2,6-diamine?
The InChIKey is AVZQFTOIRGCJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7Se2/c1-2-4-14(3-1)23-19-17-18(22-13-21-17)25-20(26-19)24-15-5-7-16(8-6-15)27-9-11-28-29-12-10-27/h5-8,13-14H,1-4,9-12H2,(H3,21,22,23,24,25,26).
What are the key properties of 6-N-cyclopentyl-2-N-[4-(1,2,5-diselenazepan-5-yl)phenyl]-7H-purine-2,6-diamine?
6-N-cyclopentyl-2-N-[4-(1,2,5-diselenazepan-5-yl)phenyl]-7H-purine-2,6-diamine has a molecular weight of 521.39 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopentyl-2-N-[4-(1,2,5-diselenazepan-5-yl)phenyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 158553885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).