2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one

C13H20N4O2 — CID 167225183

IUPAC2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCN1CCC[C@H]1COc1nc2c(c(=O)[nH]1)CCNC2
InChIInChI=1S/C13H20N4O2/c1-17-6-2-3-9(17)8-19-13-15-11-7-14-5-4-10(11)12(18)16-13/h9,14H,2-8H2,1H3,(H,15,16,18)/t9-/m0/s1
InChIKeySFGBHEUWRUYKQW-VIFPVBQESA-N
MW264.33 g/mol
LogP-0.11
Rot. Bonds3

About 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one

2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 167225183) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID167225183
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCN1CCC[C@H]1COc1nc2c(c(=O)[nH]1)CCNC2
InChIInChI=1S/C13H20N4O2/c1-17-6-2-3-9(17)8-19-13-15-11-7-14-5-4-10(11)12(18)16-13/h9,14H,2-8H2,1H3,(H,15,16,18)/t9-/m0/s1
InChIKeySFGBHEUWRUYKQW-VIFPVBQESA-N
XLogP-0.11
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one (CID 167225183) is 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one is CN1CCC[C@H]1COc1nc2c(c(=O)[nH]1)CCNC2.
What is the InChIKey of 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is SFGBHEUWRUYKQW-VIFPVBQESA-N. The full InChI is InChI=1S/C13H20N4O2/c1-17-6-2-3-9(17)8-19-13-15-11-7-14-5-4-10(11)12(18)16-13/h9,14H,2-8H2,1H3,(H,15,16,18)/t9-/m0/s1.
What are the key properties of 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 264.33 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 167225183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).