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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Related Compounds

4-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80955979
6-methyl-N-(3-methylcyclobutyl)-2-propan-2-ylpyrimidin-4-amine
CID 115697112
N-(1-ethylpiperidin-4-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 60667015
6-methyl-N-(2-methyloxan-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 103889167
N-cyclopropyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80968411
6-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine
CID 60651523
6-methyl-N-(2-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine
CID 43395279
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]cyclobutan-1-ol
CID 80958339
4-[[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 166329636
N-cyclopropyl-2-propan-2-ylpyrimidin-4-amine
CID 130920544
N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 133281627
2-chloro-N-cyclopropyl-6-methylpyrimidin-4-amine
CID 53346646

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).