6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine

C14H25N3O2 — CID 103491655

IUPAC6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(OC(C)COCC)c1C(C)C
InChIInChI=1S/C14H25N3O2/c1-6-15-13-12(10(3)4)14(17-9-16-13)19-11(5)8-18-7-2/h9-11H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyNUDMUXKWUVQWPE-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.84
Rot. Bonds8

About 6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine

6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 103491655) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID103491655
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(OC(C)COCC)c1C(C)C
InChIInChI=1S/C14H25N3O2/c1-6-15-13-12(10(3)4)14(17-9-16-13)19-11(5)8-18-7-2/h9-11H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyNUDMUXKWUVQWPE-UHFFFAOYSA-N
XLogP2.84
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine (CID 103491655) is 6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine is CCNc1ncnc(OC(C)COCC)c1C(C)C.
What is the InChIKey of 6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is NUDMUXKWUVQWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-6-15-13-12(10(3)4)14(17-9-16-13)19-11(5)8-18-7-2/h9-11H,6-8H2,1-5H3,(H,15,16,17).
What are the key properties of 6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine?
6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 267.37 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 103491655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).