3-[5-amino-2-(oxan-4-ylamino)pyrido[4,3-d]pyrimidin-8-yl]-2-fluorophenol

C18H18FN5O2 — CID 175787688

IUPAC3-[5-amino-2-(oxan-4-ylamino)pyrido[4,3-d]pyrimidin-8-yl]-2-fluorophenol
SMILESNc1ncc(-c2cccc(O)c2F)c2nc(NC3CCOCC3)ncc12
InChIInChI=1S/C18H18FN5O2/c19-15-11(2-1-3-14(15)25)12-8-21-17(20)13-9-22-18(24-16(12)13)23-10-4-6-26-7-5-10/h1-3,8-10,25H,4-7H2,(H2,20,21)(H,22,23,24)
InChIKeyYGQHLRKHPMTNIG-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.71
Rot. Bonds3

About 3-[5-amino-2-(oxan-4-ylamino)pyrido[4,3-d]pyrimidin-8-yl]-2-fluorophenol

3-[5-amino-2-(oxan-4-ylamino)pyrido[4,3-d]pyrimidin-8-yl]-2-fluorophenol (PubChem CID 175787688) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 3-[5-amino-2-(oxan-4-ylamino)pyrido[4,3-d]pyrimidin-8-yl]-2-fluorophenol.

Molecular Properties

Compound Name3-[5-amino-2-(oxan-4-ylamino)pyrido[4,3-d]pyrimidin-8-yl]-2-fluorophenol
PubChem CID175787688
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name3-[5-amino-2-(oxan-4-ylamino)pyrido[4,3-d]pyrimidin-8-yl]-2-fluorophenol
SMILESNc1ncc(-c2cccc(O)c2F)c2nc(NC3CCOCC3)ncc12
InChIInChI=1S/C18H18FN5O2/c19-15-11(2-1-3-14(15)25)12-8-21-17(20)13-9-22-18(24-16(12)13)23-10-4-6-26-7-5-10/h1-3,8-10,25H,4-7H2,(H2,20,21)(H,22,23,24)
InChIKeyYGQHLRKHPMTNIG-UHFFFAOYSA-N
XLogP2.71
TPSA106.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-2-(oxan-4-ylamino)pyrido[4,3-d]pyrimidin-8-yl]-2-fluorophenol?
The IUPAC name of 3-[5-amino-2-(oxan-4-ylamino)pyrido[4,3-d]pyrimidin-8-yl]-2-fluorophenol (CID 175787688) is 3-[5-amino-2-(oxan-4-ylamino)pyrido[4,3-d]pyrimidin-8-yl]-2-fluorophenol.
What is the SMILES notation for 3-[5-amino-2-(oxan-4-ylamino)pyrido[4,3-d]pyrimidin-8-yl]-2-fluorophenol?
The canonical SMILES for 3-[5-amino-2-(oxan-4-ylamino)pyrido[4,3-d]pyrimidin-8-yl]-2-fluorophenol is Nc1ncc(-c2cccc(O)c2F)c2nc(NC3CCOCC3)ncc12.
What is the InChIKey of 3-[5-amino-2-(oxan-4-ylamino)pyrido[4,3-d]pyrimidin-8-yl]-2-fluorophenol?
The InChIKey is YGQHLRKHPMTNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c19-15-11(2-1-3-14(15)25)12-8-21-17(20)13-9-22-18(24-16(12)13)23-10-4-6-26-7-5-10/h1-3,8-10,25H,4-7H2,(H2,20,21)(H,22,23,24).
What are the key properties of 3-[5-amino-2-(oxan-4-ylamino)pyrido[4,3-d]pyrimidin-8-yl]-2-fluorophenol?
3-[5-amino-2-(oxan-4-ylamino)pyrido[4,3-d]pyrimidin-8-yl]-2-fluorophenol has a molecular weight of 355.37 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-2-(oxan-4-ylamino)pyrido[4,3-d]pyrimidin-8-yl]-2-fluorophenol is sourced from PubChem (CID 175787688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).