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

C11H14N4O — CID 141429263

IUPAC7-[(3-methyloxetan-3-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1(Cn2ccc3c(N)ncnc32)COC1
InChIInChI=1S/C11H14N4O/c1-11(5-16-6-11)4-15-3-2-8-9(12)13-7-14-10(8)15/h2-3,7H,4-6H2,1H3,(H2,12,13,14)
InChIKeyMUUMDKCNJLBLCW-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.05
Rot. Bonds2

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

7-[(3-methyloxetan-3-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 141429263) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 7-[(3-methyloxetan-3-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[(3-methyloxetan-3-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID141429263
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name7-[(3-methyloxetan-3-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1(Cn2ccc3c(N)ncnc32)COC1
InChIInChI=1S/C11H14N4O/c1-11(5-16-6-11)4-15-3-2-8-9(12)13-7-14-10(8)15/h2-3,7H,4-6H2,1H3,(H2,12,13,14)
InChIKeyMUUMDKCNJLBLCW-UHFFFAOYSA-N
XLogP1.05
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-methyloxetan-3-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[(3-methyloxetan-3-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 141429263) is 7-[(3-methyloxetan-3-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[(3-methyloxetan-3-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[(3-methyloxetan-3-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine is CC1(Cn2ccc3c(N)ncnc32)COC1.
What is the InChIKey of 7-[(3-methyloxetan-3-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is MUUMDKCNJLBLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-11(5-16-6-11)4-15-3-2-8-9(12)13-7-14-10(8)15/h2-3,7H,4-6H2,1H3,(H2,12,13,14).
What are the key properties of 7-[(3-methyloxetan-3-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
7-[(3-methyloxetan-3-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 218.26 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-methyloxetan-3-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 141429263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).