methyl 5-[2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridine-2-carboxylate

C22H22N4O3 — CID 90182135

IUPACmethyl 5-[2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2cnc(C)nc2OC[C@H]2CC2c2ccc(C)cn2)cn1
InChIInChI=1S/C22H22N4O3/c1-13-4-6-19(24-9-13)17-8-16(17)12-29-21-18(11-23-14(2)26-21)15-5-7-20(25-10-15)22(27)28-3/h4-7,9-11,16-17H,8,12H2,1-3H3/t16-,17?/m1/s1
InChIKeyRFKQVTSKYXKKSD-TZHYSIJRSA-N
MW390.44 g/mol
LogP3.52
Rot. Bonds6

About methyl 5-[2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridine-2-carboxylate

methyl 5-[2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridine-2-carboxylate (PubChem CID 90182135) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is methyl 5-[2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridine-2-carboxylate
PubChem CID90182135
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Namemethyl 5-[2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2cnc(C)nc2OC[C@H]2CC2c2ccc(C)cn2)cn1
InChIInChI=1S/C22H22N4O3/c1-13-4-6-19(24-9-13)17-8-16(17)12-29-21-18(11-23-14(2)26-21)15-5-7-20(25-10-15)22(27)28-3/h4-7,9-11,16-17H,8,12H2,1-3H3/t16-,17?/m1/s1
InChIKeyRFKQVTSKYXKKSD-TZHYSIJRSA-N
XLogP3.52
TPSA87.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-[2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridine-2-carboxylate (CID 90182135) is methyl 5-[2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridine-2-carboxylate is COC(=O)c1ccc(-c2cnc(C)nc2OC[C@H]2CC2c2ccc(C)cn2)cn1.
What is the InChIKey of methyl 5-[2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridine-2-carboxylate?
The InChIKey is RFKQVTSKYXKKSD-TZHYSIJRSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-13-4-6-19(24-9-13)17-8-16(17)12-29-21-18(11-23-14(2)26-21)15-5-7-20(25-10-15)22(27)28-3/h4-7,9-11,16-17H,8,12H2,1-3H3/t16-,17?/m1/s1.
What are the key properties of methyl 5-[2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridine-2-carboxylate?
methyl 5-[2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridine-2-carboxylate has a molecular weight of 390.44 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridine-2-carboxylate is sourced from PubChem (CID 90182135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).