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'}

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

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Related Compounds

4-(4-Methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25129883
US10196391, Example 112
CID 121455907
US10196391, Example 91
CID 121455911
US10196391, Example 26
CID 121455932
US10196391, Example 22
CID 121455936
US10196391, Example 90
CID 121455946
US10196391, Example 21
CID 121455949
US10196391, Example 19
CID 121455965
US10196391, Example 71
CID 121455986
US10196391, Example 95
CID 121455987
US10196391, Example 111
CID 121455999
US10196391, Example 17
CID 121456023

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).