4-[2-(4-aminopyrimidin-2-yl)ethylamino]phenol

C12H14N4O — CID 105488049

IUPAC4-[2-(4-aminopyrimidin-2-yl)ethylamino]phenol
SMILESNc1ccnc(CCNc2ccc(O)cc2)n1
InChIInChI=1S/C12H14N4O/c13-11-5-7-15-12(16-11)6-8-14-9-1-3-10(17)4-2-9/h1-5,7,14,17H,6,8H2,(H2,13,15,16)
InChIKeySHBBYGGGHXEVLE-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.42
Rot. Bonds4

About 4-[2-(4-aminopyrimidin-2-yl)ethylamino]phenol

4-[2-(4-aminopyrimidin-2-yl)ethylamino]phenol (PubChem CID 105488049) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-[2-(4-aminopyrimidin-2-yl)ethylamino]phenol.

Molecular Properties

Compound Name4-[2-(4-aminopyrimidin-2-yl)ethylamino]phenol
PubChem CID105488049
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4-[2-(4-aminopyrimidin-2-yl)ethylamino]phenol
SMILESNc1ccnc(CCNc2ccc(O)cc2)n1
InChIInChI=1S/C12H14N4O/c13-11-5-7-15-12(16-11)6-8-14-9-1-3-10(17)4-2-9/h1-5,7,14,17H,6,8H2,(H2,13,15,16)
InChIKeySHBBYGGGHXEVLE-UHFFFAOYSA-N
XLogP1.42
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminopyrimidin-2-yl)ethylamino]phenol?
The IUPAC name of 4-[2-(4-aminopyrimidin-2-yl)ethylamino]phenol (CID 105488049) is 4-[2-(4-aminopyrimidin-2-yl)ethylamino]phenol.
What is the SMILES notation for 4-[2-(4-aminopyrimidin-2-yl)ethylamino]phenol?
The canonical SMILES for 4-[2-(4-aminopyrimidin-2-yl)ethylamino]phenol is Nc1ccnc(CCNc2ccc(O)cc2)n1.
What is the InChIKey of 4-[2-(4-aminopyrimidin-2-yl)ethylamino]phenol?
The InChIKey is SHBBYGGGHXEVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-11-5-7-15-12(16-11)6-8-14-9-1-3-10(17)4-2-9/h1-5,7,14,17H,6,8H2,(H2,13,15,16).
What are the key properties of 4-[2-(4-aminopyrimidin-2-yl)ethylamino]phenol?
4-[2-(4-aminopyrimidin-2-yl)ethylamino]phenol has a molecular weight of 230.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminopyrimidin-2-yl)ethylamino]phenol is sourced from PubChem (CID 105488049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).