3-[(6-tert-butylpyrimidin-4-yl)amino]propan-1-ol

C11H19N3O — CID 126849003

IUPAC3-[(6-tert-butylpyrimidin-4-yl)amino]propan-1-ol
SMILESCC(C)(C)c1cc(NCCCO)ncn1
InChIInChI=1S/C11H19N3O/c1-11(2,3)9-7-10(14-8-13-9)12-5-4-6-15/h7-8,15H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyAHSVYLLDNSQERT-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.57
Rot. Bonds4

About 3-[(6-tert-butylpyrimidin-4-yl)amino]propan-1-ol

3-[(6-tert-butylpyrimidin-4-yl)amino]propan-1-ol (PubChem CID 126849003) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[(6-tert-butylpyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(6-tert-butylpyrimidin-4-yl)amino]propan-1-ol
PubChem CID126849003
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-[(6-tert-butylpyrimidin-4-yl)amino]propan-1-ol
SMILESCC(C)(C)c1cc(NCCCO)ncn1
InChIInChI=1S/C11H19N3O/c1-11(2,3)9-7-10(14-8-13-9)12-5-4-6-15/h7-8,15H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyAHSVYLLDNSQERT-UHFFFAOYSA-N
XLogP1.57
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,6-ditert-butylpyrimidin-4-yl)amino]propan-1-ol
CID 133381809
3-[(6-ethynylpyrimidin-4-yl)amino]propan-1-ol
CID 126848708
4-N,6-N-dihexylpyrimidine-4,6-diamine
CID 2747970
3-[(5-bromo-4-methyl-2-pyridinyl)amino]propan-1-ol
CID 53409461
6-tert-butyl-N-cyclopropylpyrimidin-4-amine
CID 126849020
5-[(6-aminopyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162981
4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 112857775
N-(2-bromoethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 126849106
5-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]pentan-1-ol;dihydrochloride
CID 154903330
2-[6-(propylamino)pyrimidin-4-yl]sulfanylethanol
CID 80885147
6-N-butyl-4-N-(4-tert-butylphenyl)pyrimidine-4,6-diamine
CID 112855172
3-methyl-4-[[6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80851233

Frequently Asked Questions

What is the IUPAC name of 3-[(6-tert-butylpyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 3-[(6-tert-butylpyrimidin-4-yl)amino]propan-1-ol (CID 126849003) is 3-[(6-tert-butylpyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(6-tert-butylpyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(6-tert-butylpyrimidin-4-yl)amino]propan-1-ol is CC(C)(C)c1cc(NCCCO)ncn1.
What is the InChIKey of 3-[(6-tert-butylpyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is AHSVYLLDNSQERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,3)9-7-10(14-8-13-9)12-5-4-6-15/h7-8,15H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of 3-[(6-tert-butylpyrimidin-4-yl)amino]propan-1-ol?
3-[(6-tert-butylpyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-tert-butylpyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 126849003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).