2-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]propan-2-ol

C13H14ClN3O2 — CID 163247823

IUPAC2-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(Oc2cc(Cl)nc(N)n2)cc1
InChIInChI=1S/C13H14ClN3O2/c1-13(2,18)8-3-5-9(6-4-8)19-11-7-10(14)16-12(15)17-11/h3-7,18H,1-2H3,(H2,15,16,17)
InChIKeyCPPWZVFRQFBUGB-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.73
Rot. Bonds3

About 2-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]propan-2-ol

2-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]propan-2-ol (PubChem CID 163247823) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]propan-2-ol
PubChem CID163247823
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name2-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(Oc2cc(Cl)nc(N)n2)cc1
InChIInChI=1S/C13H14ClN3O2/c1-13(2,18)8-3-5-9(6-4-8)19-11-7-10(14)16-12(15)17-11/h3-7,18H,1-2H3,(H2,15,16,17)
InChIKeyCPPWZVFRQFBUGB-UHFFFAOYSA-N
XLogP2.73
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(4-methylphenoxy)pyrimidin-2-amine
CID 748214
tert-butyl N-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]carbamate
CID 133057700
4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidin-2-amine
CID 107169142
2-tert-butyl-4-chloro-6-(4-chlorophenoxy)pyrimidine
CID 80949039
4-(3-bromo-4-fluorophenoxy)-6-chloropyrimidin-2-amine
CID 83235895
4-(4-tert-butylphenoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80944176
4-chloro-6-pyridin-3-yloxypyrimidin-2-amine
CID 47159152
4-chloro-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine
CID 80740168
4-(1,3-benzodioxol-5-yloxy)-6-chloropyrimidin-2-amine
CID 47151279
3-(2-amino-6-chloropyrimidin-4-yl)oxybenzamide
CID 47280236
6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 80867343
2-[4-[2-[(1-amino-3-trityliminoprop-1-en-2-yl)sulfanylamino]-6-chloropyrimidin-4-yl]oxyphenyl]propan-2-ol
CID 174000978

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]propan-2-ol?
The IUPAC name of 2-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]propan-2-ol (CID 163247823) is 2-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]propan-2-ol.
What is the SMILES notation for 2-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]propan-2-ol?
The canonical SMILES for 2-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]propan-2-ol is CC(C)(O)c1ccc(Oc2cc(Cl)nc(N)n2)cc1.
What is the InChIKey of 2-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]propan-2-ol?
The InChIKey is CPPWZVFRQFBUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-13(2,18)8-3-5-9(6-4-8)19-11-7-10(14)16-12(15)17-11/h3-7,18H,1-2H3,(H2,15,16,17).
What are the key properties of 2-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]propan-2-ol?
2-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]propan-2-ol has a molecular weight of 279.73 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]propan-2-ol is sourced from PubChem (CID 163247823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).