2-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]phenol

C15H16ClN3O — CID 106196538

IUPAC2-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]phenol
SMILESCc1c(Cl)nc(C2CC2)nc1NCc1ccccc1O
InChIInChI=1S/C15H16ClN3O/c1-9-13(16)18-15(10-6-7-10)19-14(9)17-8-11-4-2-3-5-12(11)20/h2-5,10,20H,6-8H2,1H3,(H,17,18,19)
InChIKeyHNTFECIJLYXKPI-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.63
Rot. Bonds4

About 2-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]phenol

2-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]phenol (PubChem CID 106196538) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]phenol
PubChem CID106196538
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]phenol
SMILESCc1c(Cl)nc(C2CC2)nc1NCc1ccccc1O
InChIInChI=1S/C15H16ClN3O/c1-9-13(16)18-15(10-6-7-10)19-14(9)17-8-11-4-2-3-5-12(11)20/h2-5,10,20H,6-8H2,1H3,(H,17,18,19)
InChIKeyHNTFECIJLYXKPI-UHFFFAOYSA-N
XLogP3.63
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]phenol?
The IUPAC name of 2-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]phenol (CID 106196538) is 2-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]phenol.
What is the SMILES notation for 2-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]phenol?
The canonical SMILES for 2-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]phenol is Cc1c(Cl)nc(C2CC2)nc1NCc1ccccc1O.
What is the InChIKey of 2-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]phenol?
The InChIKey is HNTFECIJLYXKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-9-13(16)18-15(10-6-7-10)19-14(9)17-8-11-4-2-3-5-12(11)20/h2-5,10,20H,6-8H2,1H3,(H,17,18,19).
What are the key properties of 2-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]phenol?
2-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]phenol has a molecular weight of 289.77 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]phenol is sourced from PubChem (CID 106196538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).