5-(3-methoxy-4-pyridinyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine

C21H22N4O2 — CID 90182138

IUPAC5-(3-methoxy-4-pyridinyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine
SMILESCOc1cnccc1-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc(C)cn1
InChIInChI=1S/C21H22N4O2/c1-13-4-5-19(24-9-13)17-8-15(17)12-27-21-18(10-23-14(2)25-21)16-6-7-22-11-20(16)26-3/h4-7,9-11,15,17H,8,12H2,1-3H3/t15-,17+/m1/s1
InChIKeyCAUZUIQOMALKFH-WBVHZDCISA-N
MW362.43 g/mol
LogP3.74
Rot. Bonds6

About 5-(3-methoxy-4-pyridinyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine

5-(3-methoxy-4-pyridinyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine (PubChem CID 90182138) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-(3-methoxy-4-pyridinyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine.

Molecular Properties

Compound Name5-(3-methoxy-4-pyridinyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine
PubChem CID90182138
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name5-(3-methoxy-4-pyridinyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine
SMILESCOc1cnccc1-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc(C)cn1
InChIInChI=1S/C21H22N4O2/c1-13-4-5-19(24-9-13)17-8-15(17)12-27-21-18(10-23-14(2)25-21)16-6-7-22-11-20(16)26-3/h4-7,9-11,15,17H,8,12H2,1-3H3/t15-,17+/m1/s1
InChIKeyCAUZUIQOMALKFH-WBVHZDCISA-N
XLogP3.74
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(3-methoxy-4-pyridinyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-4-pyridinyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine?
The IUPAC name of 5-(3-methoxy-4-pyridinyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine (CID 90182138) is 5-(3-methoxy-4-pyridinyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine.
What is the SMILES notation for 5-(3-methoxy-4-pyridinyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine?
The canonical SMILES for 5-(3-methoxy-4-pyridinyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine is COc1cnccc1-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc(C)cn1.
What is the InChIKey of 5-(3-methoxy-4-pyridinyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine?
The InChIKey is CAUZUIQOMALKFH-WBVHZDCISA-N. The full InChI is InChI=1S/C21H22N4O2/c1-13-4-5-19(24-9-13)17-8-15(17)12-27-21-18(10-23-14(2)25-21)16-6-7-22-11-20(16)26-3/h4-7,9-11,15,17H,8,12H2,1-3H3/t15-,17+/m1/s1.
What are the key properties of 5-(3-methoxy-4-pyridinyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine?
5-(3-methoxy-4-pyridinyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine has a molecular weight of 362.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-4-pyridinyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine is sourced from PubChem (CID 90182138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).