6-(cyclohexen-1-yl)-5-(5-fluoro-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine

C18H18FN5 — CID 169213196

IUPAC6-(cyclohexen-1-yl)-5-(5-fluoro-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCn1c(C2=CCCCC2)c(-c2cncc(F)c2)c2c(N)ncnc21
InChIInChI=1S/C18H18FN5/c1-24-16(11-5-3-2-4-6-11)14(12-7-13(19)9-21-8-12)15-17(20)22-10-23-18(15)24/h5,7-10H,2-4,6H2,1H3,(H2,20,22,23)
InChIKeyQDNMZQXZONYFSB-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.71
Rot. Bonds2

About 6-(cyclohexen-1-yl)-5-(5-fluoro-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine

6-(cyclohexen-1-yl)-5-(5-fluoro-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 169213196) has the molecular formula C18H18FN5 and a molecular weight of 323.38 g/mol. Its IUPAC name is 6-(cyclohexen-1-yl)-5-(5-fluoro-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(cyclohexen-1-yl)-5-(5-fluoro-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID169213196
Molecular FormulaC18H18FN5
Molecular Weight323.38 g/mol
Exact Mass323.15
IUPAC Name6-(cyclohexen-1-yl)-5-(5-fluoro-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCn1c(C2=CCCCC2)c(-c2cncc(F)c2)c2c(N)ncnc21
InChIInChI=1S/C18H18FN5/c1-24-16(11-5-3-2-4-6-11)14(12-7-13(19)9-21-8-12)15-17(20)22-10-23-18(15)24/h5,7-10H,2-4,6H2,1H3,(H2,20,22,23)
InChIKeyQDNMZQXZONYFSB-UHFFFAOYSA-N
XLogP3.71
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexen-1-yl)-5-(5-fluoro-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(cyclohexen-1-yl)-5-(5-fluoro-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine (CID 169213196) is 6-(cyclohexen-1-yl)-5-(5-fluoro-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(cyclohexen-1-yl)-5-(5-fluoro-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(cyclohexen-1-yl)-5-(5-fluoro-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine is Cn1c(C2=CCCCC2)c(-c2cncc(F)c2)c2c(N)ncnc21.
What is the InChIKey of 6-(cyclohexen-1-yl)-5-(5-fluoro-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is QDNMZQXZONYFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5/c1-24-16(11-5-3-2-4-6-11)14(12-7-13(19)9-21-8-12)15-17(20)22-10-23-18(15)24/h5,7-10H,2-4,6H2,1H3,(H2,20,22,23).
What are the key properties of 6-(cyclohexen-1-yl)-5-(5-fluoro-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
6-(cyclohexen-1-yl)-5-(5-fluoro-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 323.38 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexen-1-yl)-5-(5-fluoro-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 169213196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).