ethane;5-fluoro-3-[(2-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyridin-2-amine

C18H24FN5 — CID 176927490

IUPACethane;5-fluoro-3-[(2-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyridin-2-amine
SMILESCC.Cc1nc(C(C)C)c2ccn(Cc3cc(F)cnc3N)c2n1
InChIInChI=1S/C16H18FN5.C2H6/c1-9(2)14-13-4-5-22(16(13)21-10(3)20-14)8-11-6-12(17)7-19-15(11)18;1-2/h4-7,9H,8H2,1-3H3,(H2,18,19);1-2H3
InChIKeyVPGRIVIAUBBATB-UHFFFAOYSA-N
MW329.42 g/mol
LogP4.05
Rot. Bonds3

About ethane;5-fluoro-3-[(2-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyridin-2-amine

ethane;5-fluoro-3-[(2-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyridin-2-amine (PubChem CID 176927490) has the molecular formula C18H24FN5 and a molecular weight of 329.42 g/mol. Its IUPAC name is ethane;5-fluoro-3-[(2-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Nameethane;5-fluoro-3-[(2-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyridin-2-amine
PubChem CID176927490
Molecular FormulaC18H24FN5
Molecular Weight329.42 g/mol
Exact Mass329.20
IUPAC Nameethane;5-fluoro-3-[(2-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyridin-2-amine
SMILESCC.Cc1nc(C(C)C)c2ccn(Cc3cc(F)cnc3N)c2n1
InChIInChI=1S/C16H18FN5.C2H6/c1-9(2)14-13-4-5-22(16(13)21-10(3)20-14)8-11-6-12(17)7-19-15(11)18;1-2/h4-7,9H,8H2,1-3H3,(H2,18,19);1-2H3
InChIKeyVPGRIVIAUBBATB-UHFFFAOYSA-N
XLogP4.05
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-3-[(2-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyridin-2-amine?
The IUPAC name of ethane;5-fluoro-3-[(2-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyridin-2-amine (CID 176927490) is ethane;5-fluoro-3-[(2-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyridin-2-amine.
What is the SMILES notation for ethane;5-fluoro-3-[(2-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyridin-2-amine?
The canonical SMILES for ethane;5-fluoro-3-[(2-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyridin-2-amine is CC.Cc1nc(C(C)C)c2ccn(Cc3cc(F)cnc3N)c2n1.
What is the InChIKey of ethane;5-fluoro-3-[(2-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyridin-2-amine?
The InChIKey is VPGRIVIAUBBATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5.C2H6/c1-9(2)14-13-4-5-22(16(13)21-10(3)20-14)8-11-6-12(17)7-19-15(11)18;1-2/h4-7,9H,8H2,1-3H3,(H2,18,19);1-2H3.
What are the key properties of ethane;5-fluoro-3-[(2-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyridin-2-amine?
ethane;5-fluoro-3-[(2-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyridin-2-amine has a molecular weight of 329.42 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-3-[(2-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 176927490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).