2-ethyl-N-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine

C11H17N3O2 — CID 58754700

IUPAC2-ethyl-N-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NC(C)C)c2c(n1)OCCO2
InChIInChI=1S/C11H17N3O2/c1-4-8-13-10(12-7(2)3)9-11(14-8)16-6-5-15-9/h7H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyTUIJROWIIXCWBZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.63
Rot. Bonds3

About 2-ethyl-N-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine

2-ethyl-N-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine (PubChem CID 58754700) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-ethyl-N-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine
PubChem CID58754700
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-ethyl-N-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NC(C)C)c2c(n1)OCCO2
InChIInChI=1S/C11H17N3O2/c1-4-8-13-10(12-7(2)3)9-11(14-8)16-6-5-15-9/h7H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyTUIJROWIIXCWBZ-UHFFFAOYSA-N
XLogP1.63
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine (CID 58754700) is 2-ethyl-N-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine is CCc1nc(NC(C)C)c2c(n1)OCCO2.
What is the InChIKey of 2-ethyl-N-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine?
The InChIKey is TUIJROWIIXCWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-8-13-10(12-7(2)3)9-11(14-8)16-6-5-15-9/h7H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of 2-ethyl-N-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine?
2-ethyl-N-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine has a molecular weight of 223.28 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 58754700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).