4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol

C14H23N3O — CID 43395250

IUPAC4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESCc1cc(NC2CCC(O)CC2)nc(C(C)C)n1
InChIInChI=1S/C14H23N3O/c1-9(2)14-15-10(3)8-13(17-14)16-11-4-6-12(18)7-5-11/h8-9,11-12,18H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyHIAONUMOKZQMIU-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.62
Rot. Bonds3

About 4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol

4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 43395250) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
PubChem CID43395250
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESCc1cc(NC2CCC(O)CC2)nc(C(C)C)n1
InChIInChI=1S/C14H23N3O/c1-9(2)14-15-10(3)8-13(17-14)16-11-4-6-12(18)7-5-11/h8-9,11-12,18H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyHIAONUMOKZQMIU-UHFFFAOYSA-N
XLogP2.62
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol (CID 43395250) is 4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol is Cc1cc(NC2CCC(O)CC2)nc(C(C)C)n1.
What is the InChIKey of 4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is HIAONUMOKZQMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9(2)14-15-10(3)8-13(17-14)16-11-4-6-12(18)7-5-11/h8-9,11-12,18H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of 4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol?
4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 249.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 43395250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).