7-(6-ethyl-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine

C16H23N5O2 — CID 21044353

IUPAC7-(6-ethyl-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCCC1C2OC(C)(C)OC2C(c2c[nH]c3c(N)ncnc23)N1C
InChIInChI=1S/C16H23N5O2/c1-5-9-13-14(23-16(2,3)22-13)12(21(9)4)8-6-18-11-10(8)19-7-20-15(11)17/h6-7,9,12-14,18H,5H2,1-4H3,(H2,17,19,20)
InChIKeyJMNUURFWABOOBJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.83
Rot. Bonds2

About 7-(6-ethyl-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine

7-(6-ethyl-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 21044353) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 7-(6-ethyl-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(6-ethyl-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID21044353
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name7-(6-ethyl-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCCC1C2OC(C)(C)OC2C(c2c[nH]c3c(N)ncnc23)N1C
InChIInChI=1S/C16H23N5O2/c1-5-9-13-14(23-16(2,3)22-13)12(21(9)4)8-6-18-11-10(8)19-7-20-15(11)17/h6-7,9,12-14,18H,5H2,1-4H3,(H2,17,19,20)
InChIKeyJMNUURFWABOOBJ-UHFFFAOYSA-N
XLogP1.83
TPSA89.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(6-ethyl-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(6-ethyl-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 7-(6-ethyl-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine (CID 21044353) is 7-(6-ethyl-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(6-ethyl-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 7-(6-ethyl-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine is CCC1C2OC(C)(C)OC2C(c2c[nH]c3c(N)ncnc23)N1C.
What is the InChIKey of 7-(6-ethyl-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is JMNUURFWABOOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-5-9-13-14(23-16(2,3)22-13)12(21(9)4)8-6-18-11-10(8)19-7-20-15(11)17/h6-7,9,12-14,18H,5H2,1-4H3,(H2,17,19,20).
What are the key properties of 7-(6-ethyl-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
7-(6-ethyl-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 317.39 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-ethyl-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 21044353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).