2-amino-3-methyl-6-(pyridine-3-carbonyl)-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one

C17H17N5O2S — CID 15947486

IUPAC2-amino-3-methyl-6-(pyridine-3-carbonyl)-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCN1C(=O)C2CN(C(=O)c3cccnc3)CC2(c2cccs2)N=C1N
InChIInChI=1S/C17H17N5O2S/c1-21-15(24)12-9-22(14(23)11-4-2-6-19-8-11)10-17(12,20-16(21)18)13-5-3-7-25-13/h2-8,12H,9-10H2,1H3,(H2,18,20)
InChIKeyOHNQKUJMTGZMQH-UHFFFAOYSA-N
MW355.42 g/mol
LogP0.90
Rot. Bonds2

About 2-amino-3-methyl-6-(pyridine-3-carbonyl)-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one

2-amino-3-methyl-6-(pyridine-3-carbonyl)-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 15947486) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-amino-3-methyl-6-(pyridine-3-carbonyl)-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-methyl-6-(pyridine-3-carbonyl)-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
PubChem CID15947486
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name2-amino-3-methyl-6-(pyridine-3-carbonyl)-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCN1C(=O)C2CN(C(=O)c3cccnc3)CC2(c2cccs2)N=C1N
InChIInChI=1S/C17H17N5O2S/c1-21-15(24)12-9-22(14(23)11-4-2-6-19-8-11)10-17(12,20-16(21)18)13-5-3-7-25-13/h2-8,12H,9-10H2,1H3,(H2,18,20)
InChIKeyOHNQKUJMTGZMQH-UHFFFAOYSA-N
XLogP0.90
TPSA91.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-(4-methoxybenzoyl)-3-methyl-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
CID 15947675
(4aR,7aR)-2-amino-6-(3-fluorobenzoyl)-3-methyl-7a-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
CID 88983872
pyridin-3-yl-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
CID 84512200
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one
CID 114499676
1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 110798609
S-[1-(pyridine-3-carbonyl)azetidin-3-yl] ethanethioate
CID 86242952
3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
CID 110476999
(5S,9S)-9-methyl-2-prop-2-enyl-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471715
4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 55225730
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115269846
(5S,9S)-2,9-dimethyl-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155847909

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-6-(pyridine-3-carbonyl)-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-amino-3-methyl-6-(pyridine-3-carbonyl)-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one (CID 15947486) is 2-amino-3-methyl-6-(pyridine-3-carbonyl)-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-3-methyl-6-(pyridine-3-carbonyl)-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-3-methyl-6-(pyridine-3-carbonyl)-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one is CN1C(=O)C2CN(C(=O)c3cccnc3)CC2(c2cccs2)N=C1N.
What is the InChIKey of 2-amino-3-methyl-6-(pyridine-3-carbonyl)-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is OHNQKUJMTGZMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-21-15(24)12-9-22(14(23)11-4-2-6-19-8-11)10-17(12,20-16(21)18)13-5-3-7-25-13/h2-8,12H,9-10H2,1H3,(H2,18,20).
What are the key properties of 2-amino-3-methyl-6-(pyridine-3-carbonyl)-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one?
2-amino-3-methyl-6-(pyridine-3-carbonyl)-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 355.42 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-6-(pyridine-3-carbonyl)-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 15947486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).