2-(2-aminopyrimidin-4-yl)-4-(4-hydroxyphenyl)phenol

C16H13N3O2 — CID 135482277

IUPAC2-(2-aminopyrimidin-4-yl)-4-(4-hydroxyphenyl)phenol
SMILESNc1nccc(-c2cc(-c3ccc(O)cc3)ccc2O)n1
InChIInChI=1S/C16H13N3O2/c17-16-18-8-7-14(19-16)13-9-11(3-6-15(13)21)10-1-4-12(20)5-2-10/h1-9,20-21H,(H2,17,18,19)
InChIKeyNHLYJJZPPGJCMV-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.80
Rot. Bonds2

About 2-(2-aminopyrimidin-4-yl)-4-(4-hydroxyphenyl)phenol

2-(2-aminopyrimidin-4-yl)-4-(4-hydroxyphenyl)phenol (PubChem CID 135482277) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-4-(4-hydroxyphenyl)phenol.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-4-(4-hydroxyphenyl)phenol
PubChem CID135482277
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-(2-aminopyrimidin-4-yl)-4-(4-hydroxyphenyl)phenol
SMILESNc1nccc(-c2cc(-c3ccc(O)cc3)ccc2O)n1
InChIInChI=1S/C16H13N3O2/c17-16-18-8-7-14(19-16)13-9-11(3-6-15(13)21)10-1-4-12(20)5-2-10/h1-9,20-21H,(H2,17,18,19)
InChIKeyNHLYJJZPPGJCMV-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-aminopyrimidin-4-yl)-4-chlorophenol
CID 135905112
4-(4-amino-3-fluoroanilino)-2-(2-aminopyrimidin-4-yl)phenol
CID 164863272
2-(2-aminopyrimidin-4-yl)-4-(4-chloro-2-fluoroanilino)phenol
CID 142680353
2-(2-aminopyrimidin-4-yl)-4-(3-fluoro-4-methylanilino)phenol
CID 142680327
4-(2-aminopyrimidin-4-yl)-2-[6-[2-(dimethylamino)ethylamino]pyrazin-2-yl]phenol
CID 171853450
6-(2-amino-3-hydroxy-4-pyridinyl)-2-(2-aminopyrimidin-4-yl)pyridin-3-ol
CID 137150134
2-[2-amino-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-4-(4-hydroxyphenyl)phenol
CID 135433032
1-N'-[4-[3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-3-methylphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 171466105
2-[2-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-4-(4-hydroxyphenyl)phenol
CID 135433099
5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)pyrimidin-2-amine
CID 67983118
4-(2-aminophenyl)pyrimidin-2-amine
CID 73441764
[3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-[4-(dimethylamino)-2-fluorophenyl]methanone
CID 135517331

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)-4-(4-hydroxyphenyl)phenol?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-4-(4-hydroxyphenyl)phenol (CID 135482277) is 2-(2-aminopyrimidin-4-yl)-4-(4-hydroxyphenyl)phenol.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-4-(4-hydroxyphenyl)phenol?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-4-(4-hydroxyphenyl)phenol is Nc1nccc(-c2cc(-c3ccc(O)cc3)ccc2O)n1.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-4-(4-hydroxyphenyl)phenol?
The InChIKey is NHLYJJZPPGJCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c17-16-18-8-7-14(19-16)13-9-11(3-6-15(13)21)10-1-4-12(20)5-2-10/h1-9,20-21H,(H2,17,18,19).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-4-(4-hydroxyphenyl)phenol?
2-(2-aminopyrimidin-4-yl)-4-(4-hydroxyphenyl)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-aminopyrimidin-4-yl)-4-(4-hydroxyphenyl)phenol is sourced from PubChem (CID 135482277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).