7-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine

C12H16N4O2 — CID 584067

IUPAC7-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1(C)OCC(Cn2ccc3c(N)ncnc32)O1
InChIInChI=1S/C12H16N4O2/c1-12(2)17-6-8(18-12)5-16-4-3-9-10(13)14-7-15-11(9)16/h3-4,7-8H,5-6H2,1-2H3,(H2,13,14,15)
InChIKeyVCEVDTYUXSIIPE-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.16
Rot. Bonds2

About 7-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine

7-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 584067) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 7-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID584067
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name7-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1(C)OCC(Cn2ccc3c(N)ncnc32)O1
InChIInChI=1S/C12H16N4O2/c1-12(2)17-6-8(18-12)5-16-4-3-9-10(13)14-7-15-11(9)16/h3-4,7-8H,5-6H2,1-2H3,(H2,13,14,15)
InChIKeyVCEVDTYUXSIIPE-UHFFFAOYSA-N
XLogP1.16
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 584067) is 7-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine is CC1(C)OCC(Cn2ccc3c(N)ncnc32)O1.
What is the InChIKey of 7-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is VCEVDTYUXSIIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-12(2)17-6-8(18-12)5-16-4-3-9-10(13)14-7-15-11(9)16/h3-4,7-8H,5-6H2,1-2H3,(H2,13,14,15).
What are the key properties of 7-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
7-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 248.29 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 584067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).