6-[3-fluoro-5-[(oxolan-3-ylmethylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine

C19H20FN5O — CID 90055141

IUPAC6-[3-fluoro-5-[(oxolan-3-ylmethylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2ccc(-c3cc(F)cc(CNCC4CCOC4)c3)nc12
InChIInChI=1S/C19H20FN5O/c20-15-6-13(9-22-8-12-3-4-26-10-12)5-14(7-15)16-1-2-17-18(25-16)19(21)24-11-23-17/h1-2,5-7,11-12,22H,3-4,8-10H2,(H2,21,23,24)
InChIKeyUUHOYIJTWHEFPZ-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.54
Rot. Bonds5

About 6-[3-fluoro-5-[(oxolan-3-ylmethylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine

6-[3-fluoro-5-[(oxolan-3-ylmethylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 90055141) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 6-[3-fluoro-5-[(oxolan-3-ylmethylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-fluoro-5-[(oxolan-3-ylmethylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID90055141
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name6-[3-fluoro-5-[(oxolan-3-ylmethylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2ccc(-c3cc(F)cc(CNCC4CCOC4)c3)nc12
InChIInChI=1S/C19H20FN5O/c20-15-6-13(9-22-8-12-3-4-26-10-12)5-14(7-15)16-1-2-17-18(25-16)19(21)24-11-23-17/h1-2,5-7,11-12,22H,3-4,8-10H2,(H2,21,23,24)
InChIKeyUUHOYIJTWHEFPZ-UHFFFAOYSA-N
XLogP2.54
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-5-[(oxolan-3-ylmethylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-[3-fluoro-5-[(oxolan-3-ylmethylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine (CID 90055141) is 6-[3-fluoro-5-[(oxolan-3-ylmethylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[3-fluoro-5-[(oxolan-3-ylmethylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-[3-fluoro-5-[(oxolan-3-ylmethylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine is Nc1ncnc2ccc(-c3cc(F)cc(CNCC4CCOC4)c3)nc12.
What is the InChIKey of 6-[3-fluoro-5-[(oxolan-3-ylmethylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is UUHOYIJTWHEFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c20-15-6-13(9-22-8-12-3-4-26-10-12)5-14(7-15)16-1-2-17-18(25-16)19(21)24-11-23-17/h1-2,5-7,11-12,22H,3-4,8-10H2,(H2,21,23,24).
What are the key properties of 6-[3-fluoro-5-[(oxolan-3-ylmethylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine?
6-[3-fluoro-5-[(oxolan-3-ylmethylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 353.40 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-5-[(oxolan-3-ylmethylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 90055141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).