[5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyrazin-2-yl]methanol

C20H21N5O3 — CID 90182126

IUPAC[5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyrazin-2-yl]methanol
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cnc(CO)cn2)nc1
InChIInChI=1S/C20H21N5O3/c1-12-21-8-17(19-9-22-14(10-26)6-23-19)20(25-12)28-11-13-5-16(13)18-4-3-15(27-2)7-24-18/h3-4,6-9,13,16,26H,5,10-11H2,1-2H3/t13-,16+/m1/s1
InChIKeyNBKXBSSUAZLERF-CJNGLKHVSA-N
MW379.42 g/mol
LogP2.32
Rot. Bonds7

About [5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyrazin-2-yl]methanol

[5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyrazin-2-yl]methanol (PubChem CID 90182126) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is [5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyrazin-2-yl]methanol
PubChem CID90182126
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name[5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyrazin-2-yl]methanol
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cnc(CO)cn2)nc1
InChIInChI=1S/C20H21N5O3/c1-12-21-8-17(19-9-22-14(10-26)6-23-19)20(25-12)28-11-13-5-16(13)18-4-3-15(27-2)7-24-18/h3-4,6-9,13,16,26H,5,10-11H2,1-2H3/t13-,16+/m1/s1
InChIKeyNBKXBSSUAZLERF-CJNGLKHVSA-N
XLogP2.32
TPSA103.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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]pyrazin-2-yl]methanol?
The IUPAC name of [5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyrazin-2-yl]methanol (CID 90182126) is [5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyrazin-2-yl]methanol.
What is the SMILES notation for [5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyrazin-2-yl]methanol?
The canonical SMILES for [5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyrazin-2-yl]methanol is COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cnc(CO)cn2)nc1.
What is the InChIKey of [5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyrazin-2-yl]methanol?
The InChIKey is NBKXBSSUAZLERF-CJNGLKHVSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-12-21-8-17(19-9-22-14(10-26)6-23-19)20(25-12)28-11-13-5-16(13)18-4-3-15(27-2)7-24-18/h3-4,6-9,13,16,26H,5,10-11H2,1-2H3/t13-,16+/m1/s1.
What are the key properties of [5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyrazin-2-yl]methanol?
[5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyrazin-2-yl]methanol has a molecular weight of 379.42 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 8 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]pyrazin-2-yl]methanol is sourced from PubChem (CID 90182126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).