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

C12H19N3O2 — CID 20604249

IUPACN,2-di(propan-2-yl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine
SMILESCC(C)Nc1nc(C(C)C)nc2c1OCCO2
InChIInChI=1S/C12H19N3O2/c1-7(2)10-14-11(13-8(3)4)9-12(15-10)17-6-5-16-9/h7-8H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyILLZFNDYPIAIFL-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.19
Rot. Bonds3

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

N,2-di(propan-2-yl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine (PubChem CID 20604249) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N,2-di(propan-2-yl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-di(propan-2-yl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine
PubChem CID20604249
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN,2-di(propan-2-yl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine
SMILESCC(C)Nc1nc(C(C)C)nc2c1OCCO2
InChIInChI=1S/C12H19N3O2/c1-7(2)10-14-11(13-8(3)4)9-12(15-10)17-6-5-16-9/h7-8H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyILLZFNDYPIAIFL-UHFFFAOYSA-N
XLogP2.19
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-di(propan-2-yl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,2-di(propan-2-yl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine (CID 20604249) is N,2-di(propan-2-yl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,2-di(propan-2-yl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,2-di(propan-2-yl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine is CC(C)Nc1nc(C(C)C)nc2c1OCCO2.
What is the InChIKey of N,2-di(propan-2-yl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine?
The InChIKey is ILLZFNDYPIAIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-7(2)10-14-11(13-8(3)4)9-12(15-10)17-6-5-16-9/h7-8H,5-6H2,1-4H3,(H,13,14,15).
What are the key properties of N,2-di(propan-2-yl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine?
N,2-di(propan-2-yl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine has a molecular weight of 237.30 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-di(propan-2-yl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 20604249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).