6-(6-fluoro-4-methoxy-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C17H15FN6O — CID 121455938

IUPAC6-(6-fluoro-4-methoxy-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1cc(F)nc(N2CCc3nc(-c4ncccn4)ncc3C2)c1
InChIInChI=1S/C17H15FN6O/c1-25-12-7-14(18)23-15(8-12)24-6-3-13-11(10-24)9-21-17(22-13)16-19-4-2-5-20-16/h2,4-5,7-9H,3,6,10H2,1H3
InChIKeyIPKXJURYAVMONW-UHFFFAOYSA-N
MW338.35 g/mol
LogP2.04
Rot. Bonds3

About 6-(6-fluoro-4-methoxy-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(6-fluoro-4-methoxy-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 121455938) has the molecular formula C17H15FN6O and a molecular weight of 338.35 g/mol. Its IUPAC name is 6-(6-fluoro-4-methoxy-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(6-fluoro-4-methoxy-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID121455938
Molecular FormulaC17H15FN6O
Molecular Weight338.35 g/mol
Exact Mass338.13
IUPAC Name6-(6-fluoro-4-methoxy-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1cc(F)nc(N2CCc3nc(-c4ncccn4)ncc3C2)c1
InChIInChI=1S/C17H15FN6O/c1-25-12-7-14(18)23-15(8-12)24-6-3-13-11(10-24)9-21-17(22-13)16-19-4-2-5-20-16/h2,4-5,7-9H,3,6,10H2,1H3
InChIKeyIPKXJURYAVMONW-UHFFFAOYSA-N
XLogP2.04
TPSA76.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoro-4-methoxy-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(6-fluoro-4-methoxy-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 121455938) is 6-(6-fluoro-4-methoxy-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(6-fluoro-4-methoxy-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(6-fluoro-4-methoxy-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1cc(F)nc(N2CCc3nc(-c4ncccn4)ncc3C2)c1.
What is the InChIKey of 6-(6-fluoro-4-methoxy-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is IPKXJURYAVMONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O/c1-25-12-7-14(18)23-15(8-12)24-6-3-13-11(10-24)9-21-17(22-13)16-19-4-2-5-20-16/h2,4-5,7-9H,3,6,10H2,1H3.
What are the key properties of 6-(6-fluoro-4-methoxy-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(6-fluoro-4-methoxy-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 338.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoro-4-methoxy-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 121455938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).