1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-3-ol;6-pyrrolidin-1-yl-7H-purine

C24H32N6O2 — CID 143922951

IUPAC1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-3-ol;6-pyrrolidin-1-yl-7H-purine
SMILESCOc1cccc2c1CC(N1CCC(O)C1)CC2.c1nc(N2CCCC2)c2[nH]cnc2n1
InChIInChI=1S/C15H21NO2.C9H11N5/c1-18-15-4-2-3-11-5-6-12(9-14(11)15)16-8-7-13(17)10-16;1-2-4-14(3-1)9-7-8(11-5-10-7)12-6-13-9/h2-4,12-13,17H,5-10H2,1H3;5-6H,1-4H2,(H,10,11,12,13)
InChIKeyZVWQDPBCNXZSBP-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.57
Rot. Bonds3

About 1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-3-ol;6-pyrrolidin-1-yl-7H-purine

1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-3-ol;6-pyrrolidin-1-yl-7H-purine (PubChem CID 143922951) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-3-ol;6-pyrrolidin-1-yl-7H-purine.

Molecular Properties

Compound Name1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-3-ol;6-pyrrolidin-1-yl-7H-purine
PubChem CID143922951
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-3-ol;6-pyrrolidin-1-yl-7H-purine
SMILESCOc1cccc2c1CC(N1CCC(O)C1)CC2.c1nc(N2CCCC2)c2[nH]cnc2n1
InChIInChI=1S/C15H21NO2.C9H11N5/c1-18-15-4-2-3-11-5-6-12(9-14(11)15)16-8-7-13(17)10-16;1-2-4-14(3-1)9-7-8(11-5-10-7)12-6-13-9/h2-4,12-13,17H,5-10H2,1H3;5-6H,1-4H2,(H,10,11,12,13)
InChIKeyZVWQDPBCNXZSBP-UHFFFAOYSA-N
XLogP2.57
TPSA90.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-3-ol;6-pyrrolidin-1-yl-7H-purine?
The IUPAC name of 1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-3-ol;6-pyrrolidin-1-yl-7H-purine (CID 143922951) is 1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-3-ol;6-pyrrolidin-1-yl-7H-purine.
What is the SMILES notation for 1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-3-ol;6-pyrrolidin-1-yl-7H-purine?
The canonical SMILES for 1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-3-ol;6-pyrrolidin-1-yl-7H-purine is COc1cccc2c1CC(N1CCC(O)C1)CC2.c1nc(N2CCCC2)c2[nH]cnc2n1.
What is the InChIKey of 1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-3-ol;6-pyrrolidin-1-yl-7H-purine?
The InChIKey is ZVWQDPBCNXZSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2.C9H11N5/c1-18-15-4-2-3-11-5-6-12(9-14(11)15)16-8-7-13(17)10-16;1-2-4-14(3-1)9-7-8(11-5-10-7)12-6-13-9/h2-4,12-13,17H,5-10H2,1H3;5-6H,1-4H2,(H,10,11,12,13).
What are the key properties of 1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-3-ol;6-pyrrolidin-1-yl-7H-purine?
1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-3-ol;6-pyrrolidin-1-yl-7H-purine has a molecular weight of 436.56 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-3-ol;6-pyrrolidin-1-yl-7H-purine is sourced from PubChem (CID 143922951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).