6-[3-(cyclobutylamino)-2-methylquinoxalin-5-yl]-1,2,3,4a,5,6,7,7a-octahydropyrrolo[2,3-d]pyrimidin-4-one

C19H24N6O — CID 129012610

IUPAC6-[3-(cyclobutylamino)-2-methylquinoxalin-5-yl]-1,2,3,4a,5,6,7,7a-octahydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1nc2cccc(C3CC4C(=O)NCNC4N3)c2nc1NC1CCC1
InChIInChI=1S/C19H24N6O/c1-10-17(23-11-4-2-5-11)25-16-12(6-3-7-14(16)22-10)15-8-13-18(24-15)20-9-21-19(13)26/h3,6-7,11,13,15,18,20,24H,2,4-5,8-9H2,1H3,(H,21,26)(H,23,25)
InChIKeyVFUJNQDFPCLUQQ-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.56
Rot. Bonds3

About 6-[3-(cyclobutylamino)-2-methylquinoxalin-5-yl]-1,2,3,4a,5,6,7,7a-octahydropyrrolo[2,3-d]pyrimidin-4-one

6-[3-(cyclobutylamino)-2-methylquinoxalin-5-yl]-1,2,3,4a,5,6,7,7a-octahydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 129012610) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 6-[3-(cyclobutylamino)-2-methylquinoxalin-5-yl]-1,2,3,4a,5,6,7,7a-octahydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[3-(cyclobutylamino)-2-methylquinoxalin-5-yl]-1,2,3,4a,5,6,7,7a-octahydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID129012610
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name6-[3-(cyclobutylamino)-2-methylquinoxalin-5-yl]-1,2,3,4a,5,6,7,7a-octahydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1nc2cccc(C3CC4C(=O)NCNC4N3)c2nc1NC1CCC1
InChIInChI=1S/C19H24N6O/c1-10-17(23-11-4-2-5-11)25-16-12(6-3-7-14(16)22-10)15-8-13-18(24-15)20-9-21-19(13)26/h3,6-7,11,13,15,18,20,24H,2,4-5,8-9H2,1H3,(H,21,26)(H,23,25)
InChIKeyVFUJNQDFPCLUQQ-UHFFFAOYSA-N
XLogP1.56
TPSA90.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(cyclobutylamino)-2-methylquinoxalin-5-yl]-1,2,3,4a,5,6,7,7a-octahydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-[3-(cyclobutylamino)-2-methylquinoxalin-5-yl]-1,2,3,4a,5,6,7,7a-octahydropyrrolo[2,3-d]pyrimidin-4-one (CID 129012610) is 6-[3-(cyclobutylamino)-2-methylquinoxalin-5-yl]-1,2,3,4a,5,6,7,7a-octahydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[3-(cyclobutylamino)-2-methylquinoxalin-5-yl]-1,2,3,4a,5,6,7,7a-octahydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[3-(cyclobutylamino)-2-methylquinoxalin-5-yl]-1,2,3,4a,5,6,7,7a-octahydropyrrolo[2,3-d]pyrimidin-4-one is Cc1nc2cccc(C3CC4C(=O)NCNC4N3)c2nc1NC1CCC1.
What is the InChIKey of 6-[3-(cyclobutylamino)-2-methylquinoxalin-5-yl]-1,2,3,4a,5,6,7,7a-octahydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is VFUJNQDFPCLUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-10-17(23-11-4-2-5-11)25-16-12(6-3-7-14(16)22-10)15-8-13-18(24-15)20-9-21-19(13)26/h3,6-7,11,13,15,18,20,24H,2,4-5,8-9H2,1H3,(H,21,26)(H,23,25).
What are the key properties of 6-[3-(cyclobutylamino)-2-methylquinoxalin-5-yl]-1,2,3,4a,5,6,7,7a-octahydropyrrolo[2,3-d]pyrimidin-4-one?
6-[3-(cyclobutylamino)-2-methylquinoxalin-5-yl]-1,2,3,4a,5,6,7,7a-octahydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 352.44 g/mol, XLogP of 1.56, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(cyclobutylamino)-2-methylquinoxalin-5-yl]-1,2,3,4a,5,6,7,7a-octahydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 129012610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).