2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-methoxyphenol

C17H14ClN3O2 — CID 3747532

IUPAC2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2nc(N)ncc2-c2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C17H14ClN3O2/c1-23-12-6-7-13(15(22)8-12)16-14(9-20-17(19)21-16)10-2-4-11(18)5-3-10/h2-9,22H,1H3,(H2,19,20,21)
InChIKeyDHSJYHPODSCJGO-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.76
Rot. Bonds3

About 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-methoxyphenol

2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-methoxyphenol (PubChem CID 3747532) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-methoxyphenol
PubChem CID3747532
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2nc(N)ncc2-c2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C17H14ClN3O2/c1-23-12-6-7-13(15(22)8-12)16-14(9-20-17(19)21-16)10-2-4-11(18)5-3-10/h2-9,22H,1H3,(H2,19,20,21)
InChIKeyDHSJYHPODSCJGO-UHFFFAOYSA-N
XLogP3.76
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-methoxyphenol?
The IUPAC name of 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-methoxyphenol (CID 3747532) is 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-methoxyphenol.
What is the SMILES notation for 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-methoxyphenol?
The canonical SMILES for 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-methoxyphenol is COc1ccc(-c2nc(N)ncc2-c2ccc(Cl)cc2)c(O)c1.
What is the InChIKey of 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-methoxyphenol?
The InChIKey is DHSJYHPODSCJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-23-12-6-7-13(15(22)8-12)16-14(9-20-17(19)21-16)10-2-4-11(18)5-3-10/h2-9,22H,1H3,(H2,19,20,21).
What are the key properties of 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-methoxyphenol?
2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-methoxyphenol has a molecular weight of 327.77 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-methoxyphenol is sourced from PubChem (CID 3747532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).