2-methyl-2-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclohexan-1-ol

C12H23N3O — CID 111722649

IUPAC2-methyl-2-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC1(CNC2=NCCCN2)CCCCC1O
InChIInChI=1S/C12H23N3O/c1-12(6-3-2-5-10(12)16)9-15-11-13-7-4-8-14-11/h10,16H,2-9H2,1H3,(H2,13,14,15)
InChIKeyMORYIMRQPDRBIA-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.87
Rot. Bonds2

About 2-methyl-2-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclohexan-1-ol

2-methyl-2-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclohexan-1-ol (PubChem CID 111722649) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-methyl-2-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclohexan-1-ol
PubChem CID111722649
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-methyl-2-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC1(CNC2=NCCCN2)CCCCC1O
InChIInChI=1S/C12H23N3O/c1-12(6-3-2-5-10(12)16)9-15-11-13-7-4-8-14-11/h10,16H,2-9H2,1H3,(H2,13,14,15)
InChIKeyMORYIMRQPDRBIA-UHFFFAOYSA-N
XLogP0.87
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)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 2-methyl-2-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-methyl-2-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclohexan-1-ol (CID 111722649) is 2-methyl-2-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-methyl-2-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-methyl-2-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclohexan-1-ol is CC1(CNC2=NCCCN2)CCCCC1O.
What is the InChIKey of 2-methyl-2-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is MORYIMRQPDRBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-12(6-3-2-5-10(12)16)9-15-11-13-7-4-8-14-11/h10,16H,2-9H2,1H3,(H2,13,14,15).
What are the key properties of 2-methyl-2-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclohexan-1-ol?
2-methyl-2-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 111722649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).