(2-aminopyrimidin-5-yl)-(3-chloro-2-hydroxyphenyl)methanone

C11H8ClN3O2 — CID 13333118

IUPAC(2-aminopyrimidin-5-yl)-(3-chloro-2-hydroxyphenyl)methanone
SMILESNc1ncc(C(=O)c2cccc(Cl)c2O)cn1
InChIInChI=1S/C11H8ClN3O2/c12-8-3-1-2-7(10(8)17)9(16)6-4-14-11(13)15-5-6/h1-5,17H,(H2,13,14,15)
InChIKeyNKRNUGGKSFFHDU-UHFFFAOYSA-N
MW249.66 g/mol
LogP1.65
Rot. Bonds2

About (2-aminopyrimidin-5-yl)-(3-chloro-2-hydroxyphenyl)methanone

(2-aminopyrimidin-5-yl)-(3-chloro-2-hydroxyphenyl)methanone (PubChem CID 13333118) has the molecular formula C11H8ClN3O2 and a molecular weight of 249.66 g/mol. Its IUPAC name is (2-aminopyrimidin-5-yl)-(3-chloro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(2-aminopyrimidin-5-yl)-(3-chloro-2-hydroxyphenyl)methanone
PubChem CID13333118
Molecular FormulaC11H8ClN3O2
Molecular Weight249.66 g/mol
Exact Mass249.03
IUPAC Name(2-aminopyrimidin-5-yl)-(3-chloro-2-hydroxyphenyl)methanone
SMILESNc1ncc(C(=O)c2cccc(Cl)c2O)cn1
InChIInChI=1S/C11H8ClN3O2/c12-8-3-1-2-7(10(8)17)9(16)6-4-14-11(13)15-5-6/h1-5,17H,(H2,13,14,15)
InChIKeyNKRNUGGKSFFHDU-UHFFFAOYSA-N
XLogP1.65
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-aminopyrimidin-5-yl)-(3-chloro-2-hydroxyphenyl)methanone?
The IUPAC name of (2-aminopyrimidin-5-yl)-(3-chloro-2-hydroxyphenyl)methanone (CID 13333118) is (2-aminopyrimidin-5-yl)-(3-chloro-2-hydroxyphenyl)methanone.
What is the SMILES notation for (2-aminopyrimidin-5-yl)-(3-chloro-2-hydroxyphenyl)methanone?
The canonical SMILES for (2-aminopyrimidin-5-yl)-(3-chloro-2-hydroxyphenyl)methanone is Nc1ncc(C(=O)c2cccc(Cl)c2O)cn1.
What is the InChIKey of (2-aminopyrimidin-5-yl)-(3-chloro-2-hydroxyphenyl)methanone?
The InChIKey is NKRNUGGKSFFHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O2/c12-8-3-1-2-7(10(8)17)9(16)6-4-14-11(13)15-5-6/h1-5,17H,(H2,13,14,15).
What are the key properties of (2-aminopyrimidin-5-yl)-(3-chloro-2-hydroxyphenyl)methanone?
(2-aminopyrimidin-5-yl)-(3-chloro-2-hydroxyphenyl)methanone has a molecular weight of 249.66 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminopyrimidin-5-yl)-(3-chloro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 13333118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).