2-[[5-(aminomethyl)pyrimidin-2-yl]amino]phenol

C11H12N4O — CID 115029561

IUPAC2-[[5-(aminomethyl)pyrimidin-2-yl]amino]phenol
SMILESNCc1cnc(Nc2ccccc2O)nc1
InChIInChI=1S/C11H12N4O/c12-5-8-6-13-11(14-7-8)15-9-3-1-2-4-10(9)16/h1-4,6-7,16H,5,12H2,(H,13,14,15)
InChIKeyBFIGWNKDEKXHPI-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.38
Rot. Bonds3

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

2-[[5-(aminomethyl)pyrimidin-2-yl]amino]phenol (PubChem CID 115029561) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)pyrimidin-2-yl]amino]phenol.

Molecular Properties

Compound Name2-[[5-(aminomethyl)pyrimidin-2-yl]amino]phenol
PubChem CID115029561
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-[[5-(aminomethyl)pyrimidin-2-yl]amino]phenol
SMILESNCc1cnc(Nc2ccccc2O)nc1
InChIInChI=1S/C11H12N4O/c12-5-8-6-13-11(14-7-8)15-9-3-1-2-4-10(9)16/h1-4,6-7,16H,5,12H2,(H,13,14,15)
InChIKeyBFIGWNKDEKXHPI-UHFFFAOYSA-N
XLogP1.38
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(4-Hydroxyanilino)pyrimidin-4-yl]amino]phenol
CID 3008640
2,4-Bisanilinopyrimidine, 18
CID 22060262
4-[[2-(4-Hydroxyanilino)-5-methyl-pyrimidin-4-yl]amino]phenol
CID 5271602
2,4-Bisanilinopyrimidine, 24
CID 44224081
2,4-Bisanilinopyrimidine, 25
CID 44224082
2,4-Bisanilinopyrimidine, 27
CID 44224083
N2,N4-bis(3-hydroxyphenyl)-5-methyl-2,4-pyrimidinediamine
CID 22061056
2-((4-(Cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenol
CID 118905518
2-(4-Pyrimidin-2-ylpiperazin-1-yl)phenol
CID 2099210
2-(Pyridin-2-ylamino)phenol
CID 242279
4-[4-(3-Amino-phenyl)-pyrimidin-2-ylamino]-phenol
CID 11572678
4-[[4-(3-Pyridinyl)-2-pyrimidinyl]amino]phenol
CID 14347190

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(aminomethyl)pyrimidin-2-yl]amino]phenol?
The IUPAC name of 2-[[5-(aminomethyl)pyrimidin-2-yl]amino]phenol (CID 115029561) is 2-[[5-(aminomethyl)pyrimidin-2-yl]amino]phenol.
What is the SMILES notation for 2-[[5-(aminomethyl)pyrimidin-2-yl]amino]phenol?
The canonical SMILES for 2-[[5-(aminomethyl)pyrimidin-2-yl]amino]phenol is NCc1cnc(Nc2ccccc2O)nc1.
What is the InChIKey of 2-[[5-(aminomethyl)pyrimidin-2-yl]amino]phenol?
The InChIKey is BFIGWNKDEKXHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c12-5-8-6-13-11(14-7-8)15-9-3-1-2-4-10(9)16/h1-4,6-7,16H,5,12H2,(H,13,14,15).
What are the key properties of 2-[[5-(aminomethyl)pyrimidin-2-yl]amino]phenol?
2-[[5-(aminomethyl)pyrimidin-2-yl]amino]phenol has a molecular weight of 216.24 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(aminomethyl)pyrimidin-2-yl]amino]phenol is sourced from PubChem (CID 115029561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).