2-amino-8-(2-fluoro-2-methylpropyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one

C18H20FN5O2 — CID 59258865

IUPAC2-amino-8-(2-fluoro-2-methylpropyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3c(C)nc(N)nc3n(CC(C)(C)F)c2=O)cn1
InChIInChI=1S/C18H20FN5O2/c1-10-12-7-13(11-5-6-14(26-4)21-8-11)16(25)24(9-18(2,3)19)15(12)23-17(20)22-10/h5-8H,9H2,1-4H3,(H2,20,22,23)
InChIKeyAFDAULPSKXLCAX-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.50
Rot. Bonds4

About 2-amino-8-(2-fluoro-2-methylpropyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one

2-amino-8-(2-fluoro-2-methylpropyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 59258865) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-amino-8-(2-fluoro-2-methylpropyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-8-(2-fluoro-2-methylpropyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID59258865
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name2-amino-8-(2-fluoro-2-methylpropyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3c(C)nc(N)nc3n(CC(C)(C)F)c2=O)cn1
InChIInChI=1S/C18H20FN5O2/c1-10-12-7-13(11-5-6-14(26-4)21-8-11)16(25)24(9-18(2,3)19)15(12)23-17(20)22-10/h5-8H,9H2,1-4H3,(H2,20,22,23)
InChIKeyAFDAULPSKXLCAX-UHFFFAOYSA-N
XLogP2.50
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(2-fluoro-2-methylpropyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-8-(2-fluoro-2-methylpropyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 59258865) is 2-amino-8-(2-fluoro-2-methylpropyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-8-(2-fluoro-2-methylpropyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-8-(2-fluoro-2-methylpropyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one is COc1ccc(-c2cc3c(C)nc(N)nc3n(CC(C)(C)F)c2=O)cn1.
What is the InChIKey of 2-amino-8-(2-fluoro-2-methylpropyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is AFDAULPSKXLCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-10-12-7-13(11-5-6-14(26-4)21-8-11)16(25)24(9-18(2,3)19)15(12)23-17(20)22-10/h5-8H,9H2,1-4H3,(H2,20,22,23).
What are the key properties of 2-amino-8-(2-fluoro-2-methylpropyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
2-amino-8-(2-fluoro-2-methylpropyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 357.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(2-fluoro-2-methylpropyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59258865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).