2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]phenol

C17H21N3O — CID 921204

IUPAC2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]phenol
SMILESCc1cc(NC2CCCCC2)nc(-c2ccccc2O)n1
InChIInChI=1S/C17H21N3O/c1-12-11-16(19-13-7-3-2-4-8-13)20-17(18-12)14-9-5-6-10-15(14)21/h5-6,9-11,13,21H,2-4,7-8H2,1H3,(H,18,19,20)
InChIKeyRLDIRYHENJYXKS-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.90
Rot. Bonds3

About 2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]phenol

2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]phenol (PubChem CID 921204) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]phenol
PubChem CID921204
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]phenol
SMILESCc1cc(NC2CCCCC2)nc(-c2ccccc2O)n1
InChIInChI=1S/C17H21N3O/c1-12-11-16(19-13-7-3-2-4-8-13)20-17(18-12)14-9-5-6-10-15(14)21/h5-6,9-11,13,21H,2-4,7-8H2,1H3,(H,18,19,20)
InChIKeyRLDIRYHENJYXKS-UHFFFAOYSA-N
XLogP3.90
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]phenol?
The IUPAC name of 2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]phenol (CID 921204) is 2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]phenol?
The canonical SMILES for 2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]phenol is Cc1cc(NC2CCCCC2)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]phenol?
The InChIKey is RLDIRYHENJYXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-11-16(19-13-7-3-2-4-8-13)20-17(18-12)14-9-5-6-10-15(14)21/h5-6,9-11,13,21H,2-4,7-8H2,1H3,(H,18,19,20).
What are the key properties of 2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]phenol?
2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]phenol has a molecular weight of 283.37 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]phenol is sourced from PubChem (CID 921204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).