2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-8-[4-(hydroxymethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one

C21H24FN5O4 — CID 71602515

IUPAC2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-8-[4-(hydroxymethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ncc(-c2cc3c(C)nc(N)nc3n(C3CCC(OCO)CC3)c2=O)cc1F
InChIInChI=1S/C21H24FN5O4/c1-11-15-8-16(12-7-17(22)19(30-2)24-9-12)20(29)27(18(15)26-21(23)25-11)13-3-5-14(6-4-13)31-10-28/h7-9,13-14,28H,3-6,10H2,1-2H3,(H2,23,25,26)
InChIKeySAQMYGKYGQDHJG-UHFFFAOYSA-N
MW429.45 g/mol
LogP2.34
Rot. Bonds5

About 2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-8-[4-(hydroxymethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one

2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-8-[4-(hydroxymethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 71602515) has the molecular formula C21H24FN5O4 and a molecular weight of 429.45 g/mol. Its IUPAC name is 2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-8-[4-(hydroxymethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-8-[4-(hydroxymethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID71602515
Molecular FormulaC21H24FN5O4
Molecular Weight429.45 g/mol
Exact Mass429.18
IUPAC Name2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-8-[4-(hydroxymethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ncc(-c2cc3c(C)nc(N)nc3n(C3CCC(OCO)CC3)c2=O)cc1F
InChIInChI=1S/C21H24FN5O4/c1-11-15-8-16(12-7-17(22)19(30-2)24-9-12)20(29)27(18(15)26-21(23)25-11)13-3-5-14(6-4-13)31-10-28/h7-9,13-14,28H,3-6,10H2,1-2H3,(H2,23,25,26)
InChIKeySAQMYGKYGQDHJG-UHFFFAOYSA-N
XLogP2.34
TPSA125.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-8-[4-(hydroxymethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-8-[4-(hydroxymethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 71602515) is 2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-8-[4-(hydroxymethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-8-[4-(hydroxymethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-8-[4-(hydroxymethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one is COc1ncc(-c2cc3c(C)nc(N)nc3n(C3CCC(OCO)CC3)c2=O)cc1F.
What is the InChIKey of 2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-8-[4-(hydroxymethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SAQMYGKYGQDHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O4/c1-11-15-8-16(12-7-17(22)19(30-2)24-9-12)20(29)27(18(15)26-21(23)25-11)13-3-5-14(6-4-13)31-10-28/h7-9,13-14,28H,3-6,10H2,1-2H3,(H2,23,25,26).
What are the key properties of 2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-8-[4-(hydroxymethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one?
2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-8-[4-(hydroxymethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 429.45 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-8-[4-(hydroxymethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 71602515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).