7-[3-(3-methylphenyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine

C18H20N4 — CID 167461204

IUPAC7-[3-(3-methylphenyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(C2CCC(n3ccc4c(N)ncnc43)C2)c1
InChIInChI=1S/C18H20N4/c1-12-3-2-4-13(9-12)14-5-6-15(10-14)22-8-7-16-17(19)20-11-21-18(16)22/h2-4,7-9,11,14-15H,5-6,10H2,1H3,(H2,19,20,21)
InChIKeyIMLVPMSRSOKGEE-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.83
Rot. Bonds2

About 7-[3-(3-methylphenyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine

7-[3-(3-methylphenyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 167461204) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 7-[3-(3-methylphenyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[3-(3-methylphenyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID167461204
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name7-[3-(3-methylphenyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(C2CCC(n3ccc4c(N)ncnc43)C2)c1
InChIInChI=1S/C18H20N4/c1-12-3-2-4-13(9-12)14-5-6-15(10-14)22-8-7-16-17(19)20-11-21-18(16)22/h2-4,7-9,11,14-15H,5-6,10H2,1H3,(H2,19,20,21)
InChIKeyIMLVPMSRSOKGEE-UHFFFAOYSA-N
XLogP3.83
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[3-(methylaminomethyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 123569823
7-[3-(4-aminobutyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 167462175
7-[3-[(4-chlorophenyl)methyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 142419646
8-methyl-3-(3-methylphenyl)-8-azabicyclo[3.2.1]octane
CID 90754912
7-(3-but-3-enylcyclopentyl)pyrrolo[2,3-d]pyrimidin-4-amine;propane-2,2-diol
CID 142318317
4-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]phenol
CID 167462105
7-[3-[2-(6-amino-3-pyridinyl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 134417070
acetamide;[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-(4-chlorophenyl)methanol
CID 155706333
4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[2-(3-methylquinolin-7-yl)ethyl]cyclopentan-1-ol
CID 166776548
7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-3-chloroquinolin-2-amine
CID 126638050
7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]propyl]-3-bromoquinolin-2-amine
CID 167150393
7-(3-ethenylcyclopentyl)-4-methylpyrrolo[2,3-d]pyrimidine
CID 138748394

Frequently Asked Questions

What is the IUPAC name of 7-[3-(3-methylphenyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[3-(3-methylphenyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 167461204) is 7-[3-(3-methylphenyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[3-(3-methylphenyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[3-(3-methylphenyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cccc(C2CCC(n3ccc4c(N)ncnc43)C2)c1.
What is the InChIKey of 7-[3-(3-methylphenyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is IMLVPMSRSOKGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-12-3-2-4-13(9-12)14-5-6-15(10-14)22-8-7-16-17(19)20-11-21-18(16)22/h2-4,7-9,11,14-15H,5-6,10H2,1H3,(H2,19,20,21).
What are the key properties of 7-[3-(3-methylphenyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine?
7-[3-(3-methylphenyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 292.39 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(3-methylphenyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 167461204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).