4-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]benzene-1,3-diol

C16H13N3O3 — CID 135856929

IUPAC4-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]benzene-1,3-diol
SMILESNc1ncc(-c2ccc(O)cc2)c(-c2ccc(O)cc2O)n1
InChIInChI=1S/C16H13N3O3/c17-16-18-8-13(9-1-3-10(20)4-2-9)15(19-16)12-6-5-11(21)7-14(12)22/h1-8,20-22H,(H2,17,18,19)
InChIKeyHIGRHCNGTLSDOJ-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.51
Rot. Bonds2

About 4-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]benzene-1,3-diol

4-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]benzene-1,3-diol (PubChem CID 135856929) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]benzene-1,3-diol
PubChem CID135856929
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name4-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]benzene-1,3-diol
SMILESNc1ncc(-c2ccc(O)cc2)c(-c2ccc(O)cc2O)n1
InChIInChI=1S/C16H13N3O3/c17-16-18-8-13(9-1-3-10(20)4-2-9)15(19-16)12-6-5-11(21)7-14(12)22/h1-8,20-22H,(H2,17,18,19)
InChIKeyHIGRHCNGTLSDOJ-UHFFFAOYSA-N
XLogP2.51
TPSA112.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]phenol
CID 135960806
2-[2-amino-5-(4-aminophenyl)pyrimidin-4-yl]phenol
CID 135960803
2-(2-amino-5-phenylpyrimidin-4-yl)-5-propan-2-yloxyphenol
CID 135856927
2-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]-5-methoxyphenol
CID 1068801
2-[2-amino-5-(4-bromophenyl)pyrimidin-4-yl]-5-[(3-chlorophenyl)methoxy]phenol
CID 135652265
4-(2-aminopyrimidin-5-yl)-5-(4-fluorophenyl)pyrimidin-2-amine
CID 67983119
2-[2-amino-5-[4-(2-methylpropoxy)phenyl]pyrimidin-4-yl]phenol
CID 135960781
2,4-diamino-6-(2,4-dihydroxyphenyl)pyrimidine-5-carbonitrile
CID 169395987
2-aminoquinazolin-7-ol
CID 141030840
2-amino-5-(3-hydroxyphenyl)pyrimidine-4-carboxylic acid
CID 105488937
5-phenyl-4-(1H-pyrrol-3-yl)pyrimidin-2-amine
CID 90945303
4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine
CID 175370030

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]benzene-1,3-diol?
The IUPAC name of 4-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]benzene-1,3-diol (CID 135856929) is 4-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]benzene-1,3-diol?
The canonical SMILES for 4-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]benzene-1,3-diol is Nc1ncc(-c2ccc(O)cc2)c(-c2ccc(O)cc2O)n1.
What is the InChIKey of 4-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]benzene-1,3-diol?
The InChIKey is HIGRHCNGTLSDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c17-16-18-8-13(9-1-3-10(20)4-2-9)15(19-16)12-6-5-11(21)7-14(12)22/h1-8,20-22H,(H2,17,18,19).
What are the key properties of 4-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]benzene-1,3-diol?
4-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]benzene-1,3-diol has a molecular weight of 295.30 g/mol, XLogP of 2.51, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]benzene-1,3-diol is sourced from PubChem (CID 135856929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).