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

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

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Related Compounds

3-(bromomethyl)-5-fluoropyridin-2-amine
CID 133061593
3-ethyl-5-fluoropyridin-2-amine
CID 55284816
ethane;3-[(5-methyl-4-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine
CID 176927746
2-methyl-4-propan-2-ylpyrimidin-5-amine
CID 82372486
[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanol
CID 114034674
2-(2-amino-5-fluoro-3-pyridinyl)acetic acid
CID 118995801
4,6-di(propan-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-amine;ethane;3-[(6-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]pyridin-2-amine
CID 176928010
8-fluoro-2-methyl-4-propan-2-ylquinazoline
CID 139473937
ethane;5-fluoro-2-methyl-4-propan-2-ylpyrimidine
CID 177328154
5-bromo-2-(4-fluoro-2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 81277953
ethyl 2-(2-amino-5-fluoro-3-pyridinyl)acetate;hydrobromide
CID 66789137
7-[(4-amino-5-methoxy-6-methyl-3-pyridinyl)methyl]-4-bromopyrrolo[2,3-d]pyrimidin-2-amine
CID 143021125

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).