(4R)-4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]oxypentan-2-ol

C18H19FN4O2 — CID 71081804

IUPAC(4R)-4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]oxypentan-2-ol
SMILESCC(O)C[C@@H](C)Oc1nc(N)nc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C18H19FN4O2/c1-10(24)9-11(2)25-17-16-15(22-18(20)23-17)8-7-14(21-16)12-3-5-13(19)6-4-12/h3-8,10-11,24H,9H2,1-2H3,(H2,20,22,23)/t10?,11-/m1/s1
InChIKeyGNOOFZWJGOKWTQ-RRKGBCIJSA-N
MW342.37 g/mol
LogP2.95
Rot. Bonds5

About (4R)-4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]oxypentan-2-ol

(4R)-4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]oxypentan-2-ol (PubChem CID 71081804) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is (4R)-4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]oxypentan-2-ol.

Molecular Properties

Compound Name(4R)-4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]oxypentan-2-ol
PubChem CID71081804
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name(4R)-4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]oxypentan-2-ol
SMILESCC(O)C[C@@H](C)Oc1nc(N)nc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C18H19FN4O2/c1-10(24)9-11(2)25-17-16-15(22-18(20)23-17)8-7-14(21-16)12-3-5-13(19)6-4-12/h3-8,10-11,24H,9H2,1-2H3,(H2,20,22,23)/t10?,11-/m1/s1
InChIKeyGNOOFZWJGOKWTQ-RRKGBCIJSA-N
XLogP2.95
TPSA94.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]oxypentan-2-ol?
The IUPAC name of (4R)-4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]oxypentan-2-ol (CID 71081804) is (4R)-4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]oxypentan-2-ol.
What is the SMILES notation for (4R)-4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]oxypentan-2-ol?
The canonical SMILES for (4R)-4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]oxypentan-2-ol is CC(O)C[C@@H](C)Oc1nc(N)nc2ccc(-c3ccc(F)cc3)nc12.
What is the InChIKey of (4R)-4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]oxypentan-2-ol?
The InChIKey is GNOOFZWJGOKWTQ-RRKGBCIJSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-10(24)9-11(2)25-17-16-15(22-18(20)23-17)8-7-14(21-16)12-3-5-13(19)6-4-12/h3-8,10-11,24H,9H2,1-2H3,(H2,20,22,23)/t10?,11-/m1/s1.
What are the key properties of (4R)-4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]oxypentan-2-ol?
(4R)-4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]oxypentan-2-ol has a molecular weight of 342.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]oxypentan-2-ol is sourced from PubChem (CID 71081804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).