3-methoxy-1-methyl-5-[2-methyl-4-[[(2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one

C25H24N4O3 — CID 144632470

IUPAC3-methoxy-1-methyl-5-[2-methyl-4-[[(2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
SMILESCOc1cc(-c2cnc(C)nc2OCC2C[C@@H]2c2ccc3ccccc3n2)cn(C)c1=O
InChIInChI=1S/C25H24N4O3/c1-15-26-12-20(17-11-23(31-3)25(30)29(2)13-17)24(27-15)32-14-18-10-19(18)22-9-8-16-6-4-5-7-21(16)28-22/h4-9,11-13,18-19H,10,14H2,1-3H3/t18?,19-/m0/s1
InChIKeyDVYVSHVGUMXEEV-GGYWPGCISA-N
MW428.49 g/mol
LogP3.89
Rot. Bonds6

About 3-methoxy-1-methyl-5-[2-methyl-4-[[(2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one

3-methoxy-1-methyl-5-[2-methyl-4-[[(2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one (PubChem CID 144632470) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 3-methoxy-1-methyl-5-[2-methyl-4-[[(2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one.

Molecular Properties

Compound Name3-methoxy-1-methyl-5-[2-methyl-4-[[(2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
PubChem CID144632470
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name3-methoxy-1-methyl-5-[2-methyl-4-[[(2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
SMILESCOc1cc(-c2cnc(C)nc2OCC2C[C@@H]2c2ccc3ccccc3n2)cn(C)c1=O
InChIInChI=1S/C25H24N4O3/c1-15-26-12-20(17-11-23(31-3)25(30)29(2)13-17)24(27-15)32-14-18-10-19(18)22-9-8-16-6-4-5-7-21(16)28-22/h4-9,11-13,18-19H,10,14H2,1-3H3/t18?,19-/m0/s1
InChIKeyDVYVSHVGUMXEEV-GGYWPGCISA-N
XLogP3.89
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,5-dimethyl-4-[2-methyl-4-[[(2R)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
CID 129160122
2-[2-[(2-methyl-5-pyrimidin-5-ylpyrimidin-4-yl)oxymethyl]cyclopropyl]quinoline
CID 123547376
2-[2-[[5-(4-ethylphenyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline
CID 123316417
1,3-dimethyl-5-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
CID 129160088
2-[(1S,2S)-2-[[5-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline
CID 118468055
4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,2-oxazol-5-one
CID 123602873
3-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1H-pyrazol-5-one
CID 123326964
1-(difluoromethyl)-5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one
CID 123583098
4-[4-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,5-dimethylpyridin-2-one
CID 118434185
5-(3-methoxy-1-methylpyrazol-5-yl)-4-[[(2R)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
CID 144632580
1,3-dimethyl-5-[2-methyl-4-[[(1S)-2-[(2E,4Z)-5-methylnona-2,4,7-trien-2-yl]cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
CID 144632463
5-methoxy-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
CID 144632598

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-5-[2-methyl-4-[[(2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one?
The IUPAC name of 3-methoxy-1-methyl-5-[2-methyl-4-[[(2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one (CID 144632470) is 3-methoxy-1-methyl-5-[2-methyl-4-[[(2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one.
What is the SMILES notation for 3-methoxy-1-methyl-5-[2-methyl-4-[[(2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one?
The canonical SMILES for 3-methoxy-1-methyl-5-[2-methyl-4-[[(2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one is COc1cc(-c2cnc(C)nc2OCC2C[C@@H]2c2ccc3ccccc3n2)cn(C)c1=O.
What is the InChIKey of 3-methoxy-1-methyl-5-[2-methyl-4-[[(2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one?
The InChIKey is DVYVSHVGUMXEEV-GGYWPGCISA-N. The full InChI is InChI=1S/C25H24N4O3/c1-15-26-12-20(17-11-23(31-3)25(30)29(2)13-17)24(27-15)32-14-18-10-19(18)22-9-8-16-6-4-5-7-21(16)28-22/h4-9,11-13,18-19H,10,14H2,1-3H3/t18?,19-/m0/s1.
What are the key properties of 3-methoxy-1-methyl-5-[2-methyl-4-[[(2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one?
3-methoxy-1-methyl-5-[2-methyl-4-[[(2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one has a molecular weight of 428.49 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-5-[2-methyl-4-[[(2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one is sourced from PubChem (CID 144632470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).