7-(3-ethenylcyclopentyl)-4-methylpyrrolo[2,3-d]pyrimidine

C14H17N3 — CID 138748394

IUPAC7-(3-ethenylcyclopentyl)-4-methylpyrrolo[2,3-d]pyrimidine
SMILESC=CC1CCC(n2ccc3c(C)ncnc32)C1
InChIInChI=1S/C14H17N3/c1-3-11-4-5-12(8-11)17-7-6-13-10(2)15-9-16-14(13)17/h3,6-7,9,11-12H,1,4-5,8H2,2H3
InChIKeyLTZSKEKDTNSUEI-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.27
Rot. Bonds2

About 7-(3-ethenylcyclopentyl)-4-methylpyrrolo[2,3-d]pyrimidine

7-(3-ethenylcyclopentyl)-4-methylpyrrolo[2,3-d]pyrimidine (PubChem CID 138748394) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 7-(3-ethenylcyclopentyl)-4-methylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-(3-ethenylcyclopentyl)-4-methylpyrrolo[2,3-d]pyrimidine
PubChem CID138748394
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name7-(3-ethenylcyclopentyl)-4-methylpyrrolo[2,3-d]pyrimidine
SMILESC=CC1CCC(n2ccc3c(C)ncnc32)C1
InChIInChI=1S/C14H17N3/c1-3-11-4-5-12(8-11)17-7-6-13-10(2)15-9-16-14(13)17/h3,6-7,9,11-12H,1,4-5,8H2,2H3
InChIKeyLTZSKEKDTNSUEI-UHFFFAOYSA-N
XLogP3.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-(3-but-3-enylcyclopentyl)pyrrolo[2,3-d]pyrimidin-4-amine;propane-2,2-diol
CID 142318317
7-[(3aR,4S,6R,6aS)-4-ethenyl-2,2,4-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-yl]-4-methylpyrrolo[2,3-d]pyrimidine
CID 175066746
6-[[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]-2,6-diazaspiro[4.5]decane
CID 167460755
bis[(1S,2S,3S,4R)-2,3-dihydroxy-4-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl] carbonate
CID 138521086
4,7-dimethylpyrrolo[2,3-d]pyrimidine
CID 58526542
7-[3-(3-methylphenyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 167461204
7-[3-(methylaminomethyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 123569823
(1S,3S,6R,7aS)-3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2,3,5,6,7,7a-hexahydro-1H-indene-1,6-diol
CID 170391836
7-[3-(azetidin-1-ylmethyl)cyclopentyl]-4-methylpyrrolo[2,3-d]pyrimidine;N-methyl-2-naphthalen-2-ylethanamine
CID 167461593
methyl 3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1-carboxylate
CID 167461313
4-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]phenol
CID 167462105
[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]methanol;propane-2,2-diol
CID 155738609

Frequently Asked Questions

What is the IUPAC name of 7-(3-ethenylcyclopentyl)-4-methylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-(3-ethenylcyclopentyl)-4-methylpyrrolo[2,3-d]pyrimidine (CID 138748394) is 7-(3-ethenylcyclopentyl)-4-methylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-(3-ethenylcyclopentyl)-4-methylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-(3-ethenylcyclopentyl)-4-methylpyrrolo[2,3-d]pyrimidine is C=CC1CCC(n2ccc3c(C)ncnc32)C1.
What is the InChIKey of 7-(3-ethenylcyclopentyl)-4-methylpyrrolo[2,3-d]pyrimidine?
The InChIKey is LTZSKEKDTNSUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-3-11-4-5-12(8-11)17-7-6-13-10(2)15-9-16-14(13)17/h3,6-7,9,11-12H,1,4-5,8H2,2H3.
What are the key properties of 7-(3-ethenylcyclopentyl)-4-methylpyrrolo[2,3-d]pyrimidine?
7-(3-ethenylcyclopentyl)-4-methylpyrrolo[2,3-d]pyrimidine has a molecular weight of 227.31 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-ethenylcyclopentyl)-4-methylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 138748394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).