3-amino-2,5,6,6a,7,8-hexahydropyrrolo[1,2-f]pteridine-1,9-dione

C9H11N5O2 — CID 135991969

IUPAC3-amino-2,5,6,6a,7,8-hexahydropyrrolo[1,2-f]pteridine-1,9-dione
SMILESNc1nc2c(c(=O)[nH]1)N1C(=O)CCC1CN2
InChIInChI=1S/C9H11N5O2/c10-9-12-7-6(8(16)13-9)14-4(3-11-7)1-2-5(14)15/h4H,1-3H2,(H4,10,11,12,13,16)
InChIKeyFLXKLGYSMUUAKY-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.73
Rot. Bonds

About 3-amino-2,5,6,6a,7,8-hexahydropyrrolo[1,2-f]pteridine-1,9-dione

3-amino-2,5,6,6a,7,8-hexahydropyrrolo[1,2-f]pteridine-1,9-dione (PubChem CID 135991969) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-amino-2,5,6,6a,7,8-hexahydropyrrolo[1,2-f]pteridine-1,9-dione.

Molecular Properties

Compound Name3-amino-2,5,6,6a,7,8-hexahydropyrrolo[1,2-f]pteridine-1,9-dione
PubChem CID135991969
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name3-amino-2,5,6,6a,7,8-hexahydropyrrolo[1,2-f]pteridine-1,9-dione
SMILESNc1nc2c(c(=O)[nH]1)N1C(=O)CCC1CN2
InChIInChI=1S/C9H11N5O2/c10-9-12-7-6(8(16)13-9)14-4(3-11-7)1-2-5(14)15/h4H,1-3H2,(H4,10,11,12,13,16)
InChIKeyFLXKLGYSMUUAKY-UHFFFAOYSA-N
XLogP-0.73
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-2,5,6,6a,7,8-hexahydropyrrolo[1,2-f]pteridine-1,9-dione with MolForge

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Related Compounds

2-(dimethylamino)-7-D-prolyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136164906
3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
CID 136477508
2-Amino-8-cyclopentyl-3,5-dihydropteridine-4,6,7-trione
CID 175788880
2-Amino-8-cyclopentyl-7-ethyl-5-methyl-3,7-dihydropteridine-4,6-dione
CID 175856134
(7R)-2-amino-8-cyclopentyl-7-ethyl-5-methyl-3,7-dihydropteridine-4,6-dione
CID 175856193
5-amino-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136864277
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 136957433
1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 136957436
5-amino-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136975251
5-amino-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136975709
5-amino-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975919
4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136977672

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5,6,6a,7,8-hexahydropyrrolo[1,2-f]pteridine-1,9-dione?
The IUPAC name of 3-amino-2,5,6,6a,7,8-hexahydropyrrolo[1,2-f]pteridine-1,9-dione (CID 135991969) is 3-amino-2,5,6,6a,7,8-hexahydropyrrolo[1,2-f]pteridine-1,9-dione.
What is the SMILES notation for 3-amino-2,5,6,6a,7,8-hexahydropyrrolo[1,2-f]pteridine-1,9-dione?
The canonical SMILES for 3-amino-2,5,6,6a,7,8-hexahydropyrrolo[1,2-f]pteridine-1,9-dione is Nc1nc2c(c(=O)[nH]1)N1C(=O)CCC1CN2.
What is the InChIKey of 3-amino-2,5,6,6a,7,8-hexahydropyrrolo[1,2-f]pteridine-1,9-dione?
The InChIKey is FLXKLGYSMUUAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c10-9-12-7-6(8(16)13-9)14-4(3-11-7)1-2-5(14)15/h4H,1-3H2,(H4,10,11,12,13,16).
What are the key properties of 3-amino-2,5,6,6a,7,8-hexahydropyrrolo[1,2-f]pteridine-1,9-dione?
3-amino-2,5,6,6a,7,8-hexahydropyrrolo[1,2-f]pteridine-1,9-dione has a molecular weight of 221.22 g/mol, XLogP of -0.73, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5,6,6a,7,8-hexahydropyrrolo[1,2-f]pteridine-1,9-dione is sourced from PubChem (CID 135991969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).