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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Related Compounds

ethane;3-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 145130157
7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 70983690
7-iodopyrrolo[2,3-d]pyrimidin-4-amine
CID 135256977
1-[4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]ethanol
CID 123194851
(2R,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,5-dimethyloxolane-3,4-diol
CID 163953198
7-N,7-N-diaminopyrrolo[2,3-d]pyrimidine-4,7-diamine
CID 149017523
(2R,3R,4R,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(1-hydroxypropyl)-3-methyloxolane-3,4-diol
CID 71487534
(2S,3S,4S,5S)-2-[(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)methyl]-4,5-difluoro-5-(hydroxymethyl)oxolan-3-ol
CID 178006686
(3R)-3-[(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,2,4-triol
CID 70829930
[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4,4-trimethyloxolan-2-yl]methanol
CID 123507799
7-[(3aR,4R,6R,6aS)-4-ethenyl-2,2,3a,4-tetramethyl-6,6a-dihydro-5H-cyclopenta[d][1,3]dioxol-6-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 146346298
3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-1,5-dimethylcyclopentane-1,2-diol
CID 175806544

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).