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

C17H14F2N6 — CID 139381324

IUPAC6-(2,6-difluoro-4-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC1c2cnc(-c3ncccn3)nc2CCN1c1cc(F)nc(F)c1
InChIInChI=1S/C17H14F2N6/c1-10-12-9-22-17(16-20-4-2-5-21-16)23-13(12)3-6-25(10)11-7-14(18)24-15(19)8-11/h2,4-5,7-10H,3,6H2,1H3
InChIKeyFJPOWKSNOAOKKX-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.73
Rot. Bonds2

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

6-(2,6-difluoro-4-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 139381324) has the molecular formula C17H14F2N6 and a molecular weight of 340.34 g/mol. Its IUPAC name is 6-(2,6-difluoro-4-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(2,6-difluoro-4-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID139381324
Molecular FormulaC17H14F2N6
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name6-(2,6-difluoro-4-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC1c2cnc(-c3ncccn3)nc2CCN1c1cc(F)nc(F)c1
InChIInChI=1S/C17H14F2N6/c1-10-12-9-22-17(16-20-4-2-5-21-16)23-13(12)3-6-25(10)11-7-14(18)24-15(19)8-11/h2,4-5,7-10H,3,6H2,1H3
InChIKeyFJPOWKSNOAOKKX-UHFFFAOYSA-N
XLogP2.73
TPSA67.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(2,6-difluoro-4-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(2,6-difluoro-4-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 139381324) is 6-(2,6-difluoro-4-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(2,6-difluoro-4-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(2,6-difluoro-4-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC1c2cnc(-c3ncccn3)nc2CCN1c1cc(F)nc(F)c1.
What is the InChIKey of 6-(2,6-difluoro-4-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is FJPOWKSNOAOKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N6/c1-10-12-9-22-17(16-20-4-2-5-21-16)23-13(12)3-6-25(10)11-7-14(18)24-15(19)8-11/h2,4-5,7-10H,3,6H2,1H3.
What are the key properties of 6-(2,6-difluoro-4-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(2,6-difluoro-4-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 340.34 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoro-4-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 139381324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).