2-[2-cyclopropyl-4-ethyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]ethanamine;ethane;methane

C18H33N3O2 — CID 143219265

IUPAC2-[2-cyclopropyl-4-ethyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]ethanamine;ethane;methane
SMILESC.CC.CCc1nc(C2CC2)nc(OC2CCOC2)c1CCN
InChIInChI=1S/C15H23N3O2.C2H6.CH4/c1-2-13-12(5-7-16)15(20-11-6-8-19-9-11)18-14(17-13)10-3-4-10;1-2;/h10-11H,2-9,16H2,1H3;1-2H3;1H4
InChIKeyKCDCPFLIMSNECB-UHFFFAOYSA-N
MW323.48 g/mol
LogP3.25
Rot. Bonds6

About 2-[2-cyclopropyl-4-ethyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]ethanamine;ethane;methane

2-[2-cyclopropyl-4-ethyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]ethanamine;ethane;methane (PubChem CID 143219265) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 2-[2-cyclopropyl-4-ethyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]ethanamine;ethane;methane.

Molecular Properties

Compound Name2-[2-cyclopropyl-4-ethyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]ethanamine;ethane;methane
PubChem CID143219265
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name2-[2-cyclopropyl-4-ethyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]ethanamine;ethane;methane
SMILESC.CC.CCc1nc(C2CC2)nc(OC2CCOC2)c1CCN
InChIInChI=1S/C15H23N3O2.C2H6.CH4/c1-2-13-12(5-7-16)15(20-11-6-8-19-9-11)18-14(17-13)10-3-4-10;1-2;/h10-11H,2-9,16H2,1H3;1-2H3;1H4
InChIKeyKCDCPFLIMSNECB-UHFFFAOYSA-N
XLogP3.25
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropyl-4-ethyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]ethanamine;ethane;methane?
The IUPAC name of 2-[2-cyclopropyl-4-ethyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]ethanamine;ethane;methane (CID 143219265) is 2-[2-cyclopropyl-4-ethyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]ethanamine;ethane;methane.
What is the SMILES notation for 2-[2-cyclopropyl-4-ethyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]ethanamine;ethane;methane?
The canonical SMILES for 2-[2-cyclopropyl-4-ethyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]ethanamine;ethane;methane is C.CC.CCc1nc(C2CC2)nc(OC2CCOC2)c1CCN.
What is the InChIKey of 2-[2-cyclopropyl-4-ethyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]ethanamine;ethane;methane?
The InChIKey is KCDCPFLIMSNECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.C2H6.CH4/c1-2-13-12(5-7-16)15(20-11-6-8-19-9-11)18-14(17-13)10-3-4-10;1-2;/h10-11H,2-9,16H2,1H3;1-2H3;1H4.
What are the key properties of 2-[2-cyclopropyl-4-ethyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]ethanamine;ethane;methane?
2-[2-cyclopropyl-4-ethyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]ethanamine;ethane;methane has a molecular weight of 323.48 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropyl-4-ethyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]ethanamine;ethane;methane is sourced from PubChem (CID 143219265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).