5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,6-dimethylpyridin-2-one

C22H24N4O3 — CID 90182675

IUPAC5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,6-dimethylpyridin-2-one
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(C)c2C)nc1
InChIInChI=1S/C22H24N4O3/c1-13-17(6-8-21(27)26(13)3)19-11-23-14(2)25-22(19)29-12-15-9-18(15)20-7-5-16(28-4)10-24-20/h5-8,10-11,15,18H,9,12H2,1-4H3/t15-,18+/m1/s1
InChIKeyLOPSBWFFMAMMEF-QAPCUYQASA-N
MW392.46 g/mol
LogP3.05
Rot. Bonds6

About 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,6-dimethylpyridin-2-one

5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,6-dimethylpyridin-2-one (PubChem CID 90182675) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,6-dimethylpyridin-2-one
PubChem CID90182675
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,6-dimethylpyridin-2-one
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(C)c2C)nc1
InChIInChI=1S/C22H24N4O3/c1-13-17(6-8-21(27)26(13)3)19-11-23-14(2)25-22(19)29-12-15-9-18(15)20-7-5-16(28-4)10-24-20/h5-8,10-11,15,18H,9,12H2,1-4H3/t15-,18+/m1/s1
InChIKeyLOPSBWFFMAMMEF-QAPCUYQASA-N
XLogP3.05
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,6-dimethylpyridin-2-one?
The IUPAC name of 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,6-dimethylpyridin-2-one (CID 90182675) is 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,6-dimethylpyridin-2-one?
The canonical SMILES for 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,6-dimethylpyridin-2-one is COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(C)c2C)nc1.
What is the InChIKey of 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,6-dimethylpyridin-2-one?
The InChIKey is LOPSBWFFMAMMEF-QAPCUYQASA-N. The full InChI is InChI=1S/C22H24N4O3/c1-13-17(6-8-21(27)26(13)3)19-11-23-14(2)25-22(19)29-12-15-9-18(15)20-7-5-16(28-4)10-24-20/h5-8,10-11,15,18H,9,12H2,1-4H3/t15-,18+/m1/s1.
What are the key properties of 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,6-dimethylpyridin-2-one?
5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,6-dimethylpyridin-2-one has a molecular weight of 392.46 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 90182675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).