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

C18H17FN4O2 — CID 90314672

IUPAC(2S)-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-/m0/s1
InChIKeyAWSBYCGTTWRPIH-NSHDSACASA-N
MW340.36 g/mol
LogP2.69
Rot. Bonds5

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

(2S)-2-[[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]oxy]propan-1-ol (PubChem CID 90314672) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is (2S)-2-[[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]oxy]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]oxy]propan-1-ol
PubChem CID90314672
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name(2S)-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-/m0/s1
InChIKeyAWSBYCGTTWRPIH-NSHDSACASA-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

Analyze (2S)-2-[[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]oxy]propan-1-ol with MolForge

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Related Compounds

2-[4-[[5-Fluoro-2-[3-(2-hydroxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-2-methylpropan-1-ol
CID 22060268
5-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 3234743
5-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 3235448
2-(1-(6-(2-Ethylphenoxy)pyrimidin-4-yl)piperidin-4-yloxy)-5-fluoropyrimidin-4-amine
CID 25026090
(2-Chloropyrimidin-5-yl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
CID 56672636
1-[4-(2,6-Difluorophenoxy)-5-[6-(2-hydroxyethoxy)-3-pyridinyl]-2-pyridinyl]-3-methylurea
CID 155544468
US9205085, Msx-212
CID 24804044
2-[[3-[[5-Fluoro-2-[[6-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile
CID 59174520
N-(2,6-difluorobenzyl)-5-(6-methoxy-4-methylpyridin-3-yl)pyrimidin-2-amine
CID 71086594
5-[4-Cyclobutyl-3-(4,6-dimethylpyrimidin-2-yl)oxy-2-fluorophenyl]pyrimidin-2-amine
CID 77844445
4-[3-(2-Aminopyrimidin-5-yl)-6-cyclobutyl-2-fluorophenoxy]pyrimidin-2-amine
CID 77844446
4-[3-(2-Aminopyrimidin-5-yl)-6-cyclobutyl-2-fluorophenoxy]-6-propan-2-ylpyrimidin-2-amine
CID 77844447

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]oxy]propan-1-ol?
The IUPAC name of (2S)-2-[[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]oxy]propan-1-ol (CID 90314672) is (2S)-2-[[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]oxy]propan-1-ol.
What is the SMILES notation for (2S)-2-[[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]oxy]propan-1-ol?
The canonical SMILES for (2S)-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 (2S)-2-[[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]oxy]propan-1-ol?
The InChIKey is AWSBYCGTTWRPIH-NSHDSACASA-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-/m0/s1.
What are the key properties of (2S)-2-[[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]oxy]propan-1-ol?
(2S)-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 (2S)-2-[[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]oxy]propan-1-ol is sourced from PubChem (CID 90314672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).