2-methyl-5-[5-[2-(5-methyl-1,3-dioxan-2-yl)ethyl]-2-pyridinyl]pyrimidine

C17H21N3O2 — CID 134606615

IUPAC2-methyl-5-[5-[2-(5-methyl-1,3-dioxan-2-yl)ethyl]-2-pyridinyl]pyrimidine
SMILESCc1ncc(-c2ccc(CCC3OCC(C)CO3)cn2)cn1
InChIInChI=1S/C17H21N3O2/c1-12-10-21-17(22-11-12)6-4-14-3-5-16(20-7-14)15-8-18-13(2)19-9-15/h3,5,7-9,12,17H,4,6,10-11H2,1-2H3
InChIKeyXNWDISGAEPPYGZ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.79
Rot. Bonds4

About 2-methyl-5-[5-[2-(5-methyl-1,3-dioxan-2-yl)ethyl]-2-pyridinyl]pyrimidine

2-methyl-5-[5-[2-(5-methyl-1,3-dioxan-2-yl)ethyl]-2-pyridinyl]pyrimidine (PubChem CID 134606615) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-methyl-5-[5-[2-(5-methyl-1,3-dioxan-2-yl)ethyl]-2-pyridinyl]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-[5-[2-(5-methyl-1,3-dioxan-2-yl)ethyl]-2-pyridinyl]pyrimidine
PubChem CID134606615
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-methyl-5-[5-[2-(5-methyl-1,3-dioxan-2-yl)ethyl]-2-pyridinyl]pyrimidine
SMILESCc1ncc(-c2ccc(CCC3OCC(C)CO3)cn2)cn1
InChIInChI=1S/C17H21N3O2/c1-12-10-21-17(22-11-12)6-4-14-3-5-16(20-7-14)15-8-18-13(2)19-9-15/h3,5,7-9,12,17H,4,6,10-11H2,1-2H3
InChIKeyXNWDISGAEPPYGZ-UHFFFAOYSA-N
XLogP2.79
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[5-[2-(5-methyl-1,3-dioxan-2-yl)ethyl]-2-pyridinyl]pyrimidine?
The IUPAC name of 2-methyl-5-[5-[2-(5-methyl-1,3-dioxan-2-yl)ethyl]-2-pyridinyl]pyrimidine (CID 134606615) is 2-methyl-5-[5-[2-(5-methyl-1,3-dioxan-2-yl)ethyl]-2-pyridinyl]pyrimidine.
What is the SMILES notation for 2-methyl-5-[5-[2-(5-methyl-1,3-dioxan-2-yl)ethyl]-2-pyridinyl]pyrimidine?
The canonical SMILES for 2-methyl-5-[5-[2-(5-methyl-1,3-dioxan-2-yl)ethyl]-2-pyridinyl]pyrimidine is Cc1ncc(-c2ccc(CCC3OCC(C)CO3)cn2)cn1.
What is the InChIKey of 2-methyl-5-[5-[2-(5-methyl-1,3-dioxan-2-yl)ethyl]-2-pyridinyl]pyrimidine?
The InChIKey is XNWDISGAEPPYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-10-21-17(22-11-12)6-4-14-3-5-16(20-7-14)15-8-18-13(2)19-9-15/h3,5,7-9,12,17H,4,6,10-11H2,1-2H3.
What are the key properties of 2-methyl-5-[5-[2-(5-methyl-1,3-dioxan-2-yl)ethyl]-2-pyridinyl]pyrimidine?
2-methyl-5-[5-[2-(5-methyl-1,3-dioxan-2-yl)ethyl]-2-pyridinyl]pyrimidine has a molecular weight of 299.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[5-[2-(5-methyl-1,3-dioxan-2-yl)ethyl]-2-pyridinyl]pyrimidine is sourced from PubChem (CID 134606615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).