(2R)-2-[[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]oxy]propan-1-ol

C18H17FN4O2 — CID 90314460

IUPAC(2R)-2-[[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]oxy]propan-1-ol
SMILESC[C@H](CO)Oc1ncccc1-c1ccc(-c2cnc(N)nc2)c(F)c1
InChIInChI=1S/C18H17FN4O2/c1-11(10-24)25-17-15(3-2-6-21-17)12-4-5-14(16(19)7-12)13-8-22-18(20)23-9-13/h2-9,11,24H,10H2,1H3,(H2,20,22,23)/t11-/m1/s1
InChIKeyAWSBYCGTTWRPIH-LLVKDONJSA-N
MW340.36 g/mol
LogP2.69
Rot. Bonds5

About (2R)-2-[[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]oxy]propan-1-ol

(2R)-2-[[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]oxy]propan-1-ol (PubChem CID 90314460) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is (2R)-2-[[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]oxy]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]oxy]propan-1-ol
PubChem CID90314460
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name(2R)-2-[[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]oxy]propan-1-ol
SMILESC[C@H](CO)Oc1ncccc1-c1ccc(-c2cnc(N)nc2)c(F)c1
InChIInChI=1S/C18H17FN4O2/c1-11(10-24)25-17-15(3-2-6-21-17)12-4-5-14(16(19)7-12)13-8-22-18(20)23-9-13/h2-9,11,24H,10H2,1H3,(H2,20,22,23)/t11-/m1/s1
InChIKeyAWSBYCGTTWRPIH-LLVKDONJSA-N
XLogP2.69
TPSA94.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]oxy]propan-1-ol?
The IUPAC name of (2R)-2-[[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]oxy]propan-1-ol (CID 90314460) is (2R)-2-[[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]oxy]propan-1-ol.
What is the SMILES notation for (2R)-2-[[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]oxy]propan-1-ol?
The canonical SMILES for (2R)-2-[[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]oxy]propan-1-ol is C[C@H](CO)Oc1ncccc1-c1ccc(-c2cnc(N)nc2)c(F)c1.
What is the InChIKey of (2R)-2-[[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]oxy]propan-1-ol?
The InChIKey is AWSBYCGTTWRPIH-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-11(10-24)25-17-15(3-2-6-21-17)12-4-5-14(16(19)7-12)13-8-22-18(20)23-9-13/h2-9,11,24H,10H2,1H3,(H2,20,22,23)/t11-/m1/s1.
What are the key properties of (2R)-2-[[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]oxy]propan-1-ol?
(2R)-2-[[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]oxy]propan-1-ol has a molecular weight of 340.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]oxy]propan-1-ol is sourced from PubChem (CID 90314460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).