(3R,4R)-1-(2-amino-7H-purin-6-yl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol

C19H19N7O — CID 155909247

IUPAC(3R,4R)-1-(2-amino-7H-purin-6-yl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
SMILESNc1nc(N2C[C@@H](Cc3ccnc4ccccc34)[C@@H](O)C2)c2[nH]cnc2n1
InChIInChI=1S/C19H19N7O/c20-19-24-17-16(22-10-23-17)18(25-19)26-8-12(15(27)9-26)7-11-5-6-21-14-4-2-1-3-13(11)14/h1-6,10,12,15,27H,7-9H2,(H3,20,22,23,24,25)/t12-,15+/m1/s1
InChIKeyCMSQCRAFVKKGGB-DOMZBBRYSA-N
MW361.41 g/mol
LogP1.52
Rot. Bonds3

About (3R,4R)-1-(2-amino-7H-purin-6-yl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol

(3R,4R)-1-(2-amino-7H-purin-6-yl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol (PubChem CID 155909247) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is (3R,4R)-1-(2-amino-7H-purin-6-yl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(2-amino-7H-purin-6-yl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
PubChem CID155909247
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name(3R,4R)-1-(2-amino-7H-purin-6-yl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
SMILESNc1nc(N2C[C@@H](Cc3ccnc4ccccc34)[C@@H](O)C2)c2[nH]cnc2n1
InChIInChI=1S/C19H19N7O/c20-19-24-17-16(22-10-23-17)18(25-19)26-8-12(15(27)9-26)7-11-5-6-21-14-4-2-1-3-13(11)14/h1-6,10,12,15,27H,7-9H2,(H3,20,22,23,24,25)/t12-,15+/m1/s1
InChIKeyCMSQCRAFVKKGGB-DOMZBBRYSA-N
XLogP1.52
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(2-amino-7H-purin-6-yl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-(2-amino-7H-purin-6-yl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol (CID 155909247) is (3R,4R)-1-(2-amino-7H-purin-6-yl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(2-amino-7H-purin-6-yl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-(2-amino-7H-purin-6-yl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol is Nc1nc(N2C[C@@H](Cc3ccnc4ccccc34)[C@@H](O)C2)c2[nH]cnc2n1.
What is the InChIKey of (3R,4R)-1-(2-amino-7H-purin-6-yl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
The InChIKey is CMSQCRAFVKKGGB-DOMZBBRYSA-N. The full InChI is InChI=1S/C19H19N7O/c20-19-24-17-16(22-10-23-17)18(25-19)26-8-12(15(27)9-26)7-11-5-6-21-14-4-2-1-3-13(11)14/h1-6,10,12,15,27H,7-9H2,(H3,20,22,23,24,25)/t12-,15+/m1/s1.
What are the key properties of (3R,4R)-1-(2-amino-7H-purin-6-yl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
(3R,4R)-1-(2-amino-7H-purin-6-yl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol has a molecular weight of 361.41 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(2-amino-7H-purin-6-yl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 155909247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).