4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-ethoxy-2-methylpyrimidine

C17H21N5O — CID 138019107

IUPAC4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-ethoxy-2-methylpyrimidine
SMILESCCOc1cc(N2CC(c3ncc(C4CC4)cn3)C2)nc(C)n1
InChIInChI=1S/C17H21N5O/c1-3-23-16-6-15(20-11(2)21-16)22-9-14(10-22)17-18-7-13(8-19-17)12-4-5-12/h6-8,12,14H,3-5,9-10H2,1-2H3
InChIKeyUDCYZBHUMMCCJH-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.45
Rot. Bonds5

About 4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-ethoxy-2-methylpyrimidine

4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-ethoxy-2-methylpyrimidine (PubChem CID 138019107) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-ethoxy-2-methylpyrimidine.

Molecular Properties

Compound Name4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-ethoxy-2-methylpyrimidine
PubChem CID138019107
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-ethoxy-2-methylpyrimidine
SMILESCCOc1cc(N2CC(c3ncc(C4CC4)cn3)C2)nc(C)n1
InChIInChI=1S/C17H21N5O/c1-3-23-16-6-15(20-11(2)21-16)22-9-14(10-22)17-18-7-13(8-19-17)12-4-5-12/h6-8,12,14H,3-5,9-10H2,1-2H3
InChIKeyUDCYZBHUMMCCJH-UHFFFAOYSA-N
XLogP2.45
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-ethoxy-2-methylpyrimidine?
The IUPAC name of 4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-ethoxy-2-methylpyrimidine (CID 138019107) is 4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-ethoxy-2-methylpyrimidine.
What is the SMILES notation for 4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-ethoxy-2-methylpyrimidine?
The canonical SMILES for 4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-ethoxy-2-methylpyrimidine is CCOc1cc(N2CC(c3ncc(C4CC4)cn3)C2)nc(C)n1.
What is the InChIKey of 4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-ethoxy-2-methylpyrimidine?
The InChIKey is UDCYZBHUMMCCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-3-23-16-6-15(20-11(2)21-16)22-9-14(10-22)17-18-7-13(8-19-17)12-4-5-12/h6-8,12,14H,3-5,9-10H2,1-2H3.
What are the key properties of 4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-ethoxy-2-methylpyrimidine?
4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-ethoxy-2-methylpyrimidine has a molecular weight of 311.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-ethoxy-2-methylpyrimidine is sourced from PubChem (CID 138019107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).