4-[1-[(1-propan-2-yl-2H-pyrimidin-4-yl)amino]ethyl]phenol

C15H21N3O — CID 174940329

IUPAC4-[1-[(1-propan-2-yl-2H-pyrimidin-4-yl)amino]ethyl]phenol
SMILESCC(NC1=NCN(C(C)C)C=C1)c1ccc(O)cc1
InChIInChI=1S/C15H21N3O/c1-11(2)18-9-8-15(16-10-18)17-12(3)13-4-6-14(19)7-5-13/h4-9,11-12,19H,10H2,1-3H3,(H,16,17)
InChIKeyNWFINDWDAJSANY-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.64
Rot. Bonds3

About 4-[1-[(1-propan-2-yl-2H-pyrimidin-4-yl)amino]ethyl]phenol

4-[1-[(1-propan-2-yl-2H-pyrimidin-4-yl)amino]ethyl]phenol (PubChem CID 174940329) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[1-[(1-propan-2-yl-2H-pyrimidin-4-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[(1-propan-2-yl-2H-pyrimidin-4-yl)amino]ethyl]phenol
PubChem CID174940329
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-[1-[(1-propan-2-yl-2H-pyrimidin-4-yl)amino]ethyl]phenol
SMILESCC(NC1=NCN(C(C)C)C=C1)c1ccc(O)cc1
InChIInChI=1S/C15H21N3O/c1-11(2)18-9-8-15(16-10-18)17-12(3)13-4-6-14(19)7-5-13/h4-9,11-12,19H,10H2,1-3H3,(H,16,17)
InChIKeyNWFINDWDAJSANY-UHFFFAOYSA-N
XLogP2.64
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-propan-2-yl-2H-pyrimidin-4-yl)amino]ethyl]phenol?
The IUPAC name of 4-[1-[(1-propan-2-yl-2H-pyrimidin-4-yl)amino]ethyl]phenol (CID 174940329) is 4-[1-[(1-propan-2-yl-2H-pyrimidin-4-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[1-[(1-propan-2-yl-2H-pyrimidin-4-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[1-[(1-propan-2-yl-2H-pyrimidin-4-yl)amino]ethyl]phenol is CC(NC1=NCN(C(C)C)C=C1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[(1-propan-2-yl-2H-pyrimidin-4-yl)amino]ethyl]phenol?
The InChIKey is NWFINDWDAJSANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)18-9-8-15(16-10-18)17-12(3)13-4-6-14(19)7-5-13/h4-9,11-12,19H,10H2,1-3H3,(H,16,17).
What are the key properties of 4-[1-[(1-propan-2-yl-2H-pyrimidin-4-yl)amino]ethyl]phenol?
4-[1-[(1-propan-2-yl-2H-pyrimidin-4-yl)amino]ethyl]phenol has a molecular weight of 259.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-propan-2-yl-2H-pyrimidin-4-yl)amino]ethyl]phenol is sourced from PubChem (CID 174940329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).