7-(azetidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine;ethane

C12H18N4 — CID 144655005

IUPAC7-(azetidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine;ethane
SMILESCC.Cc1ncc2ccn(C3CNC3)c2n1
InChIInChI=1S/C10H12N4.C2H6/c1-7-12-4-8-2-3-14(10(8)13-7)9-5-11-6-9;1-2/h2-4,9,11H,5-6H2,1H3;1-2H3
InChIKeyUJNWVDJKWAIQEE-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.91
Rot. Bonds1

About 7-(azetidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine;ethane

7-(azetidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine;ethane (PubChem CID 144655005) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 7-(azetidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine;ethane.

Molecular Properties

Compound Name7-(azetidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine;ethane
PubChem CID144655005
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name7-(azetidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine;ethane
SMILESCC.Cc1ncc2ccn(C3CNC3)c2n1
InChIInChI=1S/C10H12N4.C2H6/c1-7-12-4-8-2-3-14(10(8)13-7)9-5-11-6-9;1-2/h2-4,9,11H,5-6H2,1H3;1-2H3
InChIKeyUJNWVDJKWAIQEE-UHFFFAOYSA-N
XLogP1.91
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(1-ethylsulfonylpiperidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine
CID 173164092
5-methyl-1-piperidin-4-ylpyrrolo[2,3-b]pyridine
CID 117223788
1-(azetidin-3-yl)-7-fluoroindole;ethane
CID 168939735
1-(azetidin-3-yl)-2-methylimidazole;dihydrochloride
CID 91812177
7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 58015759
ethane;2-(2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone
CID 144654976
2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-[(3S)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidine
CID 135368243
2-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one
CID 175812147
ethane;1-(4-methylpiperazin-1-yl)-2-(2-methylpyrrolo[2,3-d]pyrimidin-7-yl)ethanone
CID 144655013
1-(azetidin-3-yl)-2-propan-2-ylimidazole
CID 62786118
7-(2-ethyl-3-methylbutyl)-2-methylpyrrolo[2,3-d]pyrimidine
CID 155782990
2-chloro-7-(1,4-dioxaspiro[4.5]decan-8-yl)pyrrolo[2,3-d]pyrimidine
CID 147432522

Frequently Asked Questions

What is the IUPAC name of 7-(azetidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine;ethane?
The IUPAC name of 7-(azetidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine;ethane (CID 144655005) is 7-(azetidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine;ethane.
What is the SMILES notation for 7-(azetidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine;ethane?
The canonical SMILES for 7-(azetidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine;ethane is CC.Cc1ncc2ccn(C3CNC3)c2n1.
What is the InChIKey of 7-(azetidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine;ethane?
The InChIKey is UJNWVDJKWAIQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4.C2H6/c1-7-12-4-8-2-3-14(10(8)13-7)9-5-11-6-9;1-2/h2-4,9,11H,5-6H2,1H3;1-2H3.
What are the key properties of 7-(azetidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine;ethane?
7-(azetidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine;ethane has a molecular weight of 218.30 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(azetidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine;ethane is sourced from PubChem (CID 144655005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).