2-[5-[2-methyl-4-[[2-(3-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol

C23H26N4O2 — CID 123944899

IUPAC2-[5-[2-methyl-4-[[2-(3-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol
SMILESCc1ncc(-c2ccc(C(C)(C)O)nc2)c(OCC2CC2c2ncccc2C)n1
InChIInChI=1S/C23H26N4O2/c1-14-6-5-9-24-21(14)18-10-17(18)13-29-22-19(12-25-15(2)27-22)16-7-8-20(26-11-16)23(3,4)28/h5-9,11-12,17-18,28H,10,13H2,1-4H3
InChIKeyJJKKLCHWVWSGQV-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.96
Rot. Bonds6

About 2-[5-[2-methyl-4-[[2-(3-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol

2-[5-[2-methyl-4-[[2-(3-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol (PubChem CID 123944899) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[5-[2-methyl-4-[[2-(3-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[2-methyl-4-[[2-(3-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol
PubChem CID123944899
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-[5-[2-methyl-4-[[2-(3-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol
SMILESCc1ncc(-c2ccc(C(C)(C)O)nc2)c(OCC2CC2c2ncccc2C)n1
InChIInChI=1S/C23H26N4O2/c1-14-6-5-9-24-21(14)18-10-17(18)13-29-22-19(12-25-15(2)27-22)16-7-8-20(26-11-16)23(3,4)28/h5-9,11-12,17-18,28H,10,13H2,1-4H3
InChIKeyJJKKLCHWVWSGQV-UHFFFAOYSA-N
XLogP3.96
TPSA81.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-methyl-4-[[2-(3-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-[2-methyl-4-[[2-(3-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol (CID 123944899) is 2-[5-[2-methyl-4-[[2-(3-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-[2-methyl-4-[[2-(3-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-[2-methyl-4-[[2-(3-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol is Cc1ncc(-c2ccc(C(C)(C)O)nc2)c(OCC2CC2c2ncccc2C)n1.
What is the InChIKey of 2-[5-[2-methyl-4-[[2-(3-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol?
The InChIKey is JJKKLCHWVWSGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-14-6-5-9-24-21(14)18-10-17(18)13-29-22-19(12-25-15(2)27-22)16-7-8-20(26-11-16)23(3,4)28/h5-9,11-12,17-18,28H,10,13H2,1-4H3.
What are the key properties of 2-[5-[2-methyl-4-[[2-(3-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol?
2-[5-[2-methyl-4-[[2-(3-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol has a molecular weight of 390.49 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-methyl-4-[[2-(3-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 123944899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).