(2S,4R)-4-amino-N-methyl-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide

C11H15N7O — CID 70769924

IUPAC(2S,4R)-4-amino-N-methyl-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1c1ncnc2nc[nH]c12
InChIInChI=1S/C11H15N7O/c1-13-11(19)7-2-6(12)3-18(7)10-8-9(15-4-14-8)16-5-17-10/h4-7H,2-3,12H2,1H3,(H,13,19)(H,14,15,16,17)/t6-,7+/m1/s1
InChIKeyXTQXUAJISPDQRO-RQJHMYQMSA-N
MW261.29 g/mol
LogP-1.00
Rot. Bonds2

About (2S,4R)-4-amino-N-methyl-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide

(2S,4R)-4-amino-N-methyl-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide (PubChem CID 70769924) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is (2S,4R)-4-amino-N-methyl-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-N-methyl-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide
PubChem CID70769924
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name(2S,4R)-4-amino-N-methyl-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1c1ncnc2nc[nH]c12
InChIInChI=1S/C11H15N7O/c1-13-11(19)7-2-6(12)3-18(7)10-8-9(15-4-14-8)16-5-17-10/h4-7H,2-3,12H2,1H3,(H,13,19)(H,14,15,16,17)/t6-,7+/m1/s1
InChIKeyXTQXUAJISPDQRO-RQJHMYQMSA-N
XLogP-1.00
TPSA112.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S,4R)-4-fluoro-1-(7H-purin-6-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120929245
2-[8-(7H-purin-6-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79610586
[6-methyl-1-(7H-purin-6-yl)piperidin-3-yl]methanamine
CID 55090865
2-[4,4-dimethyl-1-(7H-purin-6-yl)pyrrolidin-2-yl]acetamide
CID 166358719
2-(7H-purin-6-yl)-3,4-dihydro-1H-isoquinolin-4-ol
CID 70753701
methyl 5-oxo-1-(7H-purin-6-yl)pyrrolidine-3-carboxylate
CID 168695495
N-methyl-1-(7H-purin-6-yl)piperidin-3-amine
CID 62545839
6-(2-methylpiperidin-1-yl)-7H-purine
CID 131955162
4-(aminomethyl)-1-(7H-purin-6-yl)pyrrolidin-2-one
CID 168661465
5-oxo-1-(7H-purin-6-yl)pyrrolidine-3-carboxylic acid
CID 168692424
N-(2-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide
CID 67314836
(2S,6R)-2,6-dimethyl-4-(7H-purin-6-yl)morpholine
CID 756697

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-N-methyl-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-N-methyl-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide (CID 70769924) is (2S,4R)-4-amino-N-methyl-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-N-methyl-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-N-methyl-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@@H](N)CN1c1ncnc2nc[nH]c12.
What is the InChIKey of (2S,4R)-4-amino-N-methyl-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide?
The InChIKey is XTQXUAJISPDQRO-RQJHMYQMSA-N. The full InChI is InChI=1S/C11H15N7O/c1-13-11(19)7-2-6(12)3-18(7)10-8-9(15-4-14-8)16-5-17-10/h4-7H,2-3,12H2,1H3,(H,13,19)(H,14,15,16,17)/t6-,7+/m1/s1.
What are the key properties of (2S,4R)-4-amino-N-methyl-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide?
(2S,4R)-4-amino-N-methyl-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide has a molecular weight of 261.29 g/mol, XLogP of -1.00, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-N-methyl-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 70769924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).