1,2,2-trimethyl-5-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol

C15H25N3O — CID 123935527

IUPAC1,2,2-trimethyl-5-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1ccnc(NCC2CCC(C)(C)C(C)(O)C2)n1
InChIInChI=1S/C15H25N3O/c1-11-6-8-16-13(18-11)17-10-12-5-7-14(2,3)15(4,19)9-12/h6,8,12,19H,5,7,9-10H2,1-4H3,(H,16,17,18)
InChIKeyQWSZVZURBZGOBO-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.77
Rot. Bonds3

About 1,2,2-trimethyl-5-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol

1,2,2-trimethyl-5-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 123935527) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1,2,2-trimethyl-5-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1,2,2-trimethyl-5-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID123935527
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1,2,2-trimethyl-5-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1ccnc(NCC2CCC(C)(C)C(C)(O)C2)n1
InChIInChI=1S/C15H25N3O/c1-11-6-8-16-13(18-11)17-10-12-5-7-14(2,3)15(4,19)9-12/h6,8,12,19H,5,7,9-10H2,1-4H3,(H,16,17,18)
InChIKeyQWSZVZURBZGOBO-UHFFFAOYSA-N
XLogP2.77
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,2,2-trimethyl-5-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethyl-5-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1,2,2-trimethyl-5-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol (CID 123935527) is 1,2,2-trimethyl-5-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1,2,2-trimethyl-5-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1,2,2-trimethyl-5-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol is Cc1ccnc(NCC2CCC(C)(C)C(C)(O)C2)n1.
What is the InChIKey of 1,2,2-trimethyl-5-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is QWSZVZURBZGOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-6-8-16-13(18-11)17-10-12-5-7-14(2,3)15(4,19)9-12/h6,8,12,19H,5,7,9-10H2,1-4H3,(H,16,17,18).
What are the key properties of 1,2,2-trimethyl-5-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol?
1,2,2-trimethyl-5-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethyl-5-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 123935527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).