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

C13H16N4O2 — CID 175933692

IUPAC8-methyl-6-[(3R)-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-/m1/s1
InChIKeyDCFSKBSAGBEVHB-SNVBAGLBSA-N
MW260.30 g/mol
LogP0.41
Rot. Bonds2

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

8-methyl-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one (PubChem CID 175933692) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 8-methyl-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-methyl-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one
PubChem CID175933692
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name8-methyl-6-[(3R)-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-/m1/s1
InChIKeyDCFSKBSAGBEVHB-SNVBAGLBSA-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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Related Compounds

8-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one
CID 175933676
6-bromo-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 175780859
6-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 175831763
6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 165398615
3-methoxy-5-(1-methylpyrrolidin-3-yl)oxypyridine
CID 134434870
6-amino-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one
CID 141132986
4-(difluoromethyl)-3-(1-methylpyrrolidin-3-yl)oxypyridine
CID 145415333
2-methyl-5-[(3S)-1-methylpyrrolidin-3-yl]oxypyridine
CID 153376594
6-chloro-7-(3-fluoro-1-methylpiperidin-4-yl)quinazoline
CID 175881533
2-chloro-4-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidine
CID 121284010
5-methyl-2-[(3S)-1-methylpyrrolidin-3-yl]oxyaniline
CID 170995493
2,7-bis[[(3S)-1-methylpyrrolidin-3-yl]oxy]fluoren-9-one
CID 11406297

Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-methyl-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one (CID 175933692) is 8-methyl-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-methyl-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-methyl-6-[(3R)-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-[(3R)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DCFSKBSAGBEVHB-SNVBAGLBSA-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-/m1/s1.
What are the key properties of 8-methyl-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one?
8-methyl-6-[(3R)-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-[(3R)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 175933692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).