2-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]phenol

C16H13N3O2 — CID 135960806

IUPAC2-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]phenol
SMILESNc1ncc(-c2ccc(O)cc2)c(-c2ccccc2O)n1
InChIInChI=1S/C16H13N3O2/c17-16-18-9-13(10-5-7-11(20)8-6-10)15(19-16)12-3-1-2-4-14(12)21/h1-9,20-21H,(H2,17,18,19)
InChIKeyXKCICDIGLVZPCG-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.80
Rot. Bonds2

About 2-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]phenol

2-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]phenol (PubChem CID 135960806) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]phenol
PubChem CID135960806
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]phenol
SMILESNc1ncc(-c2ccc(O)cc2)c(-c2ccccc2O)n1
InChIInChI=1S/C16H13N3O2/c17-16-18-9-13(10-5-7-11(20)8-6-10)15(19-16)12-3-1-2-4-14(12)21/h1-9,20-21H,(H2,17,18,19)
InChIKeyXKCICDIGLVZPCG-UHFFFAOYSA-N
XLogP2.80
TPSA92.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-amino-5-(4-aminophenyl)pyrimidin-4-yl]phenol
CID 135960803
4-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]benzene-1,3-diol
CID 135856929
2-[2-amino-5-[4-(2-methylpropoxy)phenyl]pyrimidin-4-yl]phenol
CID 135960781
2-(2-amino-5-phenylpyrimidin-4-yl)-5-propan-2-yloxyphenol
CID 135856927
4-(2-aminopyrimidin-5-yl)-5-(4-fluorophenyl)pyrimidin-2-amine
CID 67983119
5-phenyl-4-(1H-pyrrol-3-yl)pyrimidin-2-amine
CID 90945303
2-[2-amino-5-(4-bromophenyl)pyrimidin-4-yl]-5-[(3-chlorophenyl)methoxy]phenol
CID 135652265
2-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]-5-methoxyphenol
CID 1068801
5-(4-fluorophenyl)-4-(1H-indol-3-yl)pyrimidin-2-amine
CID 101432469
4-(furan-2-yl)-5-phenylpyrimidin-2-amine
CID 134140522
sodium;hydride;2-phenylphenol;4-phenylphenol
CID 173165495
4-chloro-5-phenylpyrimidin-2-amine
CID 89417218

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]phenol?
The IUPAC name of 2-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]phenol (CID 135960806) is 2-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 2-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]phenol is Nc1ncc(-c2ccc(O)cc2)c(-c2ccccc2O)n1.
What is the InChIKey of 2-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]phenol?
The InChIKey is XKCICDIGLVZPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c17-16-18-9-13(10-5-7-11(20)8-6-10)15(19-16)12-3-1-2-4-14(12)21/h1-9,20-21H,(H2,17,18,19).
What are the key properties of 2-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]phenol?
2-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]phenol has a molecular weight of 279.30 g/mol, XLogP of 2.80, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 135960806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).