(3-aminopyrrolidin-1-yl)-(4,7-dimethylpyrrolo[2,3-d]pyrimidin-6-yl)methanone

C13H17N5O — CID 71051258

IUPAC(3-aminopyrrolidin-1-yl)-(4,7-dimethylpyrrolo[2,3-d]pyrimidin-6-yl)methanone
SMILESCc1ncnc2c1cc(C(=O)N1CCC(N)C1)n2C
InChIInChI=1S/C13H17N5O/c1-8-10-5-11(17(2)12(10)16-7-15-8)13(19)18-4-3-9(14)6-18/h5,7,9H,3-4,6,14H2,1-2H3
InChIKeyIEIFAJZXLBNSJI-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.45
Rot. Bonds1

About (3-aminopyrrolidin-1-yl)-(4,7-dimethylpyrrolo[2,3-d]pyrimidin-6-yl)methanone

(3-aminopyrrolidin-1-yl)-(4,7-dimethylpyrrolo[2,3-d]pyrimidin-6-yl)methanone (PubChem CID 71051258) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-(4,7-dimethylpyrrolo[2,3-d]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-(4,7-dimethylpyrrolo[2,3-d]pyrimidin-6-yl)methanone
PubChem CID71051258
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name(3-aminopyrrolidin-1-yl)-(4,7-dimethylpyrrolo[2,3-d]pyrimidin-6-yl)methanone
SMILESCc1ncnc2c1cc(C(=O)N1CCC(N)C1)n2C
InChIInChI=1S/C13H17N5O/c1-8-10-5-11(17(2)12(10)16-7-15-8)13(19)18-4-3-9(14)6-18/h5,7,9H,3-4,6,14H2,1-2H3
InChIKeyIEIFAJZXLBNSJI-UHFFFAOYSA-N
XLogP0.45
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103511639
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CID 58560837
[(3R)-3-aminopyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone
CID 128922242
[3-(aminomethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone
CID 62063026
[(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922341
[(3R)-3-aminopyrrolidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone
CID 119410101
(3-aminopyrrolidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
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(3-aminopyrrolidin-1-yl)-(2-methyl-5-sulfanylphenyl)methanone
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[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride
CID 119413051
[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-3-yl)methanone
CID 155950739
(3-aminopyrrolidin-1-yl)-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride
CID 119482806
[(3R)-3-aminopyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-(4,7-dimethylpyrrolo[2,3-d]pyrimidin-6-yl)methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-(4,7-dimethylpyrrolo[2,3-d]pyrimidin-6-yl)methanone (CID 71051258) is (3-aminopyrrolidin-1-yl)-(4,7-dimethylpyrrolo[2,3-d]pyrimidin-6-yl)methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-(4,7-dimethylpyrrolo[2,3-d]pyrimidin-6-yl)methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-(4,7-dimethylpyrrolo[2,3-d]pyrimidin-6-yl)methanone is Cc1ncnc2c1cc(C(=O)N1CCC(N)C1)n2C.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-(4,7-dimethylpyrrolo[2,3-d]pyrimidin-6-yl)methanone?
The InChIKey is IEIFAJZXLBNSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-8-10-5-11(17(2)12(10)16-7-15-8)13(19)18-4-3-9(14)6-18/h5,7,9H,3-4,6,14H2,1-2H3.
What are the key properties of (3-aminopyrrolidin-1-yl)-(4,7-dimethylpyrrolo[2,3-d]pyrimidin-6-yl)methanone?
(3-aminopyrrolidin-1-yl)-(4,7-dimethylpyrrolo[2,3-d]pyrimidin-6-yl)methanone has a molecular weight of 259.31 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-(4,7-dimethylpyrrolo[2,3-d]pyrimidin-6-yl)methanone is sourced from PubChem (CID 71051258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).