8-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one

C13H16N4O2 — CID 175933676

IUPAC8-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one
SMILESCN1CC[C@H](Oc2cc3cncnc3n(C)c2=O)C1
InChIInChI=1S/C13H16N4O2/c1-16-4-3-10(7-16)19-11-5-9-6-14-8-15-12(9)17(2)13(11)18/h5-6,8,10H,3-4,7H2,1-2H3/t10-/m0/s1
InChIKeyDCFSKBSAGBEVHB-JTQLQIEISA-N
MW260.30 g/mol
LogP0.41
Rot. Bonds2

About 8-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one

8-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one (PubChem CID 175933676) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 8-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one
PubChem CID175933676
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name8-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one
SMILESCN1CC[C@H](Oc2cc3cncnc3n(C)c2=O)C1
InChIInChI=1S/C13H16N4O2/c1-16-4-3-10(7-16)19-11-5-9-6-14-8-15-12(9)17(2)13(11)18/h5-6,8,10H,3-4,7H2,1-2H3/t10-/m0/s1
InChIKeyDCFSKBSAGBEVHB-JTQLQIEISA-N
XLogP0.41
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one (CID 175933676) is 8-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one is CN1CC[C@H](Oc2cc3cncnc3n(C)c2=O)C1.
What is the InChIKey of 8-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DCFSKBSAGBEVHB-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N4O2/c1-16-4-3-10(7-16)19-11-5-9-6-14-8-15-12(9)17(2)13(11)18/h5-6,8,10H,3-4,7H2,1-2H3/t10-/m0/s1.
What are the key properties of 8-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one?
8-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one has a molecular weight of 260.30 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 175933676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).