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

C15H25N3O — CID 64912091

IUPAC2-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1cc(NCC2CCCCC2O)nc(C(C)C)n1
InChIInChI=1S/C15H25N3O/c1-10(2)15-17-11(3)8-14(18-15)16-9-12-6-4-5-7-13(12)19/h8,10,12-13,19H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeyLLEFTZVORNCNKE-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.87
Rot. Bonds4

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

2-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 64912091) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID64912091
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1cc(NCC2CCCCC2O)nc(C(C)C)n1
InChIInChI=1S/C15H25N3O/c1-10(2)15-17-11(3)8-14(18-15)16-9-12-6-4-5-7-13(12)19/h8,10,12-13,19H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeyLLEFTZVORNCNKE-UHFFFAOYSA-N
XLogP2.87
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 64912091) is 2-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is Cc1cc(NCC2CCCCC2O)nc(C(C)C)n1.
What is the InChIKey of 2-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is LLEFTZVORNCNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-10(2)15-17-11(3)8-14(18-15)16-9-12-6-4-5-7-13(12)19/h8,10,12-13,19H,4-7,9H2,1-3H3,(H,16,17,18).
What are the key properties of 2-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
2-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64912091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).