3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one

C22H24N4O3 — CID 90182685

IUPAC3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
SMILESCOc1cc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(C)cn2)cn(C)c1=O
InChIInChI=1S/C22H24N4O3/c1-13-5-6-19(24-9-13)17-7-16(17)12-29-21-18(10-23-14(2)25-21)15-8-20(28-4)22(27)26(3)11-15/h5-6,8-11,16-17H,7,12H2,1-4H3/t16-,17+/m1/s1
InChIKeyCFJOSRHKASHJDW-SJORKVTESA-N
MW392.46 g/mol
LogP3.05
Rot. Bonds6

About 3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one

3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one (PubChem CID 90182685) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one.

Molecular Properties

Compound Name3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
PubChem CID90182685
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
SMILESCOc1cc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(C)cn2)cn(C)c1=O
InChIInChI=1S/C22H24N4O3/c1-13-5-6-19(24-9-13)17-7-16(17)12-29-21-18(10-23-14(2)25-21)15-8-20(28-4)22(27)26(3)11-15/h5-6,8-11,16-17H,7,12H2,1-4H3/t16-,17+/m1/s1
InChIKeyCFJOSRHKASHJDW-SJORKVTESA-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 3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one?
The IUPAC name of 3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one (CID 90182685) is 3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one.
What is the SMILES notation for 3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one?
The canonical SMILES for 3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one is COc1cc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(C)cn2)cn(C)c1=O.
What is the InChIKey of 3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one?
The InChIKey is CFJOSRHKASHJDW-SJORKVTESA-N. The full InChI is InChI=1S/C22H24N4O3/c1-13-5-6-19(24-9-13)17-7-16(17)12-29-21-18(10-23-14(2)25-21)15-8-20(28-4)22(27)26(3)11-15/h5-6,8-11,16-17H,7,12H2,1-4H3/t16-,17+/m1/s1.
What are the key properties of 3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one?
3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-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 3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one is sourced from PubChem (CID 90182685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).