2-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one

C21H21FN6O2 — CID 166645055

IUPAC2-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one
SMILESCc1nc(NCc2ccc(OCc3ccc(F)cc3)nc2)nc2c1NC(=O)CN2C
InChIInChI=1S/C21H21FN6O2/c1-13-19-20(28(2)11-17(29)26-19)27-21(25-13)24-10-15-5-8-18(23-9-15)30-12-14-3-6-16(22)7-4-14/h3-9H,10-12H2,1-2H3,(H,26,29)(H,24,25,27)
InChIKeyOIADQMDXRHPLCM-UHFFFAOYSA-N
MW408.44 g/mol
LogP2.90
Rot. Bonds6

About 2-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one

2-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one (PubChem CID 166645055) has the molecular formula C21H21FN6O2 and a molecular weight of 408.44 g/mol. Its IUPAC name is 2-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name2-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one
PubChem CID166645055
Molecular FormulaC21H21FN6O2
Molecular Weight408.44 g/mol
Exact Mass408.17
IUPAC Name2-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one
SMILESCc1nc(NCc2ccc(OCc3ccc(F)cc3)nc2)nc2c1NC(=O)CN2C
InChIInChI=1S/C21H21FN6O2/c1-13-19-20(28(2)11-17(29)26-19)27-21(25-13)24-10-15-5-8-18(23-9-15)30-12-14-3-6-16(22)7-4-14/h3-9H,10-12H2,1-2H3,(H,26,29)(H,24,25,27)
InChIKeyOIADQMDXRHPLCM-UHFFFAOYSA-N
XLogP2.90
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one?
The IUPAC name of 2-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one (CID 166645055) is 2-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one.
What is the SMILES notation for 2-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one?
The canonical SMILES for 2-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one is Cc1nc(NCc2ccc(OCc3ccc(F)cc3)nc2)nc2c1NC(=O)CN2C.
What is the InChIKey of 2-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one?
The InChIKey is OIADQMDXRHPLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O2/c1-13-19-20(28(2)11-17(29)26-19)27-21(25-13)24-10-15-5-8-18(23-9-15)30-12-14-3-6-16(22)7-4-14/h3-9H,10-12H2,1-2H3,(H,26,29)(H,24,25,27).
What are the key properties of 2-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one?
2-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one has a molecular weight of 408.44 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one is sourced from PubChem (CID 166645055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).