3-[(2,6-ditert-butylpyrimidin-4-yl)amino]propan-1-ol

C15H27N3O — CID 133381809

IUPAC3-[(2,6-ditert-butylpyrimidin-4-yl)amino]propan-1-ol
SMILESCC(C)(C)c1cc(NCCCO)nc(C(C)(C)C)n1
InChIInChI=1S/C15H27N3O/c1-14(2,3)11-10-12(16-8-7-9-19)18-13(17-11)15(4,5)6/h10,19H,7-9H2,1-6H3,(H,16,17,18)
InChIKeyARMHIBRRLBHJCJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.87
Rot. Bonds4

About 3-[(2,6-ditert-butylpyrimidin-4-yl)amino]propan-1-ol

3-[(2,6-ditert-butylpyrimidin-4-yl)amino]propan-1-ol (PubChem CID 133381809) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[(2,6-ditert-butylpyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(2,6-ditert-butylpyrimidin-4-yl)amino]propan-1-ol
PubChem CID133381809
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-[(2,6-ditert-butylpyrimidin-4-yl)amino]propan-1-ol
SMILESCC(C)(C)c1cc(NCCCO)nc(C(C)(C)C)n1
InChIInChI=1S/C15H27N3O/c1-14(2,3)11-10-12(16-8-7-9-19)18-13(17-11)15(4,5)6/h10,19H,7-9H2,1-6H3,(H,16,17,18)
InChIKeyARMHIBRRLBHJCJ-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 ≤ 500265.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(2,6-ditert-butylpyrimidin-4-yl)amino]propan-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

Related Compounds

4-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 106842915
2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 62192687
3-[(6-tert-butylpyrimidin-4-yl)amino]propan-1-ol
CID 126849003
N-[2-[(2,6-ditert-butylpyrimidin-4-yl)amino]ethyl]-2-methylpropanamide
CID 133382599
2,6-ditert-butyl-N-methylpyrimidin-4-amine
CID 62192327
3-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80966433
2-[(2,6-ditert-butylpyrimidin-4-yl)amino]butan-1-ol
CID 133367652
3-[2-[(6-bromo-2-tert-butylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 114172004
6-tert-butyl-2-(2-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
CID 79197478
2-tert-butyl-6-N-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine
CID 106042309
4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846872
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846982

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-ditert-butylpyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 3-[(2,6-ditert-butylpyrimidin-4-yl)amino]propan-1-ol (CID 133381809) is 3-[(2,6-ditert-butylpyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(2,6-ditert-butylpyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(2,6-ditert-butylpyrimidin-4-yl)amino]propan-1-ol is CC(C)(C)c1cc(NCCCO)nc(C(C)(C)C)n1.
What is the InChIKey of 3-[(2,6-ditert-butylpyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is ARMHIBRRLBHJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-14(2,3)11-10-12(16-8-7-9-19)18-13(17-11)15(4,5)6/h10,19H,7-9H2,1-6H3,(H,16,17,18).
What are the key properties of 3-[(2,6-ditert-butylpyrimidin-4-yl)amino]propan-1-ol?
3-[(2,6-ditert-butylpyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 265.40 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 3-[(2,6-ditert-butylpyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 133381809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).