4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]phenol

C16H17N3O — CID 82247068

IUPAC4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]phenol
SMILESOc1ccc(Nc2ccccc2C2=NCCCN2)cc1
InChIInChI=1S/C16H17N3O/c20-13-8-6-12(7-9-13)19-15-5-2-1-4-14(15)16-17-10-3-11-18-16/h1-2,4-9,19-20H,3,10-11H2,(H,17,18)
InChIKeyWYUIHYPKONHWBF-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.88
Rot. Bonds3

About 4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]phenol

4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]phenol (PubChem CID 82247068) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]phenol.

Molecular Properties

Compound Name4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]phenol
PubChem CID82247068
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]phenol
SMILESOc1ccc(Nc2ccccc2C2=NCCCN2)cc1
InChIInChI=1S/C16H17N3O/c20-13-8-6-12(7-9-13)19-15-5-2-1-4-14(15)16-17-10-3-11-18-16/h1-2,4-9,19-20H,3,10-11H2,(H,17,18)
InChIKeyWYUIHYPKONHWBF-UHFFFAOYSA-N
XLogP2.88
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
CID 82249227
3-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]propanoic acid
CID 82244461
2-chloro-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82252768
2-(4,5-dihydro-1H-imidazol-2-yl)-N-propan-2-ylaniline
CID 82241350
N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]butane-1-sulfonamide
CID 82251562
3-phenoxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
CID 82240192
N-[(3-methylphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
CID 143153215
3-(4-chlorophenyl)-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
CID 82252810
2-[4-(4-hydroxyanilino)anilino]phenol
CID 139796007
N-[(5-bromo-2-methylphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
CID 20628576
2-[N-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]ethanol
CID 82243113
2-[2-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82242953

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]phenol?
The IUPAC name of 4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]phenol (CID 82247068) is 4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]phenol.
What is the SMILES notation for 4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]phenol?
The canonical SMILES for 4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]phenol is Oc1ccc(Nc2ccccc2C2=NCCCN2)cc1.
What is the InChIKey of 4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]phenol?
The InChIKey is WYUIHYPKONHWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c20-13-8-6-12(7-9-13)19-15-5-2-1-4-14(15)16-17-10-3-11-18-16/h1-2,4-9,19-20H,3,10-11H2,(H,17,18).
What are the key properties of 4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]phenol?
4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]phenol has a molecular weight of 267.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]phenol is sourced from PubChem (CID 82247068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).