2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol

C15H18ClN3O2 — CID 122145460

IUPAC2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc(C(O)CNc2ncc(Cl)cn2)cc1
InChIInChI=1S/C15H18ClN3O2/c1-10(2)21-13-5-3-11(4-6-13)14(20)9-19-15-17-7-12(16)8-18-15/h3-8,10,14,20H,9H2,1-2H3,(H,17,18,19)
InChIKeyAZFZGGZRRQXNHA-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.06
Rot. Bonds6

About 2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol

2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol (PubChem CID 122145460) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol
PubChem CID122145460
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc(C(O)CNc2ncc(Cl)cn2)cc1
InChIInChI=1S/C15H18ClN3O2/c1-10(2)21-13-5-3-11(4-6-13)14(20)9-19-15-17-7-12(16)8-18-15/h3-8,10,14,20H,9H2,1-2H3,(H,17,18,19)
InChIKeyAZFZGGZRRQXNHA-UHFFFAOYSA-N
XLogP3.06
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol (CID 122145460) is 2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol is CC(C)Oc1ccc(C(O)CNc2ncc(Cl)cn2)cc1.
What is the InChIKey of 2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol?
The InChIKey is AZFZGGZRRQXNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-10(2)21-13-5-3-11(4-6-13)14(20)9-19-15-17-7-12(16)8-18-15/h3-8,10,14,20H,9H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol?
2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol has a molecular weight of 307.78 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 122145460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).