7-(4-aminocyclohexyl)-5-(2-fluoro-4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine

C19H22FN5 — CID 164946835

IUPAC7-(4-aminocyclohexyl)-5-(2-fluoro-4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2cn(C3CCC(N)CC3)c3ncnc(N)c23)c(F)c1
InChIInChI=1S/C19H22FN5/c1-11-2-7-14(16(20)8-11)15-9-25(13-5-3-12(21)4-6-13)19-17(15)18(22)23-10-24-19/h2,7-10,12-13H,3-6,21H2,1H3,(H2,22,23,24)
InChIKeyDSKYHEJWWIBREA-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.57
Rot. Bonds2

About 7-(4-aminocyclohexyl)-5-(2-fluoro-4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine

7-(4-aminocyclohexyl)-5-(2-fluoro-4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 164946835) has the molecular formula C19H22FN5 and a molecular weight of 339.42 g/mol. Its IUPAC name is 7-(4-aminocyclohexyl)-5-(2-fluoro-4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(4-aminocyclohexyl)-5-(2-fluoro-4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID164946835
Molecular FormulaC19H22FN5
Molecular Weight339.42 g/mol
Exact Mass339.19
IUPAC Name7-(4-aminocyclohexyl)-5-(2-fluoro-4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2cn(C3CCC(N)CC3)c3ncnc(N)c23)c(F)c1
InChIInChI=1S/C19H22FN5/c1-11-2-7-14(16(20)8-11)15-9-25(13-5-3-12(21)4-6-13)19-17(15)18(22)23-10-24-19/h2,7-10,12-13H,3-6,21H2,1H3,(H2,22,23,24)
InChIKeyDSKYHEJWWIBREA-UHFFFAOYSA-N
XLogP3.57
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-aminocyclohexyl)-5-(2-fluoro-4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(4-aminocyclohexyl)-5-(2-fluoro-4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 164946835) is 7-(4-aminocyclohexyl)-5-(2-fluoro-4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(4-aminocyclohexyl)-5-(2-fluoro-4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(4-aminocyclohexyl)-5-(2-fluoro-4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine is Cc1ccc(-c2cn(C3CCC(N)CC3)c3ncnc(N)c23)c(F)c1.
What is the InChIKey of 7-(4-aminocyclohexyl)-5-(2-fluoro-4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is DSKYHEJWWIBREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5/c1-11-2-7-14(16(20)8-11)15-9-25(13-5-3-12(21)4-6-13)19-17(15)18(22)23-10-24-19/h2,7-10,12-13H,3-6,21H2,1H3,(H2,22,23,24).
What are the key properties of 7-(4-aminocyclohexyl)-5-(2-fluoro-4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
7-(4-aminocyclohexyl)-5-(2-fluoro-4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 339.42 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-aminocyclohexyl)-5-(2-fluoro-4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 164946835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).