3-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]oxypropan-1-ol

C14H25N3O2 — CID 80966433

IUPAC3-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
SMILESCCCNc1cc(OCCCO)nc(C(C)(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-5-7-15-11-10-12(19-9-6-8-18)17-13(16-11)14(2,3)4/h10,18H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyMJMQBXPXTBCAAW-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.36
Rot. Bonds7

About 3-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]oxypropan-1-ol

3-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]oxypropan-1-ol (PubChem CID 80966433) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
PubChem CID80966433
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
SMILESCCCNc1cc(OCCCO)nc(C(C)(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-5-7-15-11-10-12(19-9-6-8-18)17-13(16-11)14(2,3)4/h10,18H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyMJMQBXPXTBCAAW-UHFFFAOYSA-N
XLogP2.36
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-butoxy-2-tert-butyl-N-(3-methoxypropyl)pyrimidin-4-amine
CID 82456921
2-tert-butyl-6-(2-cyclobutylethoxy)-N-propylpyrimidin-4-amine
CID 106207657
2-tert-butyl-6-(2-methylbutan-2-yloxy)-N-propylpyrimidin-4-amine
CID 80966505
N-(2-tert-butyl-6-ethoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82456837
6-[3-(dimethylamino)propoxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774344
2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine
CID 80965456
2-tert-butyl-N-propan-2-yl-6-propoxypyrimidin-4-amine
CID 82456857
2-[2-phenyl-6-(propylamino)pyrimidin-4-yl]oxyethanol
CID 115915860
2-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80866216
3-[(2,6-ditert-butylpyrimidin-4-yl)amino]propan-1-ol
CID 133381809
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846982
6-heptoxy-2-methyl-N-propylpyrimidin-4-amine
CID 80862052

Frequently Asked Questions

What is the IUPAC name of 3-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]oxypropan-1-ol?
The IUPAC name of 3-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]oxypropan-1-ol (CID 80966433) is 3-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]oxypropan-1-ol.
What is the SMILES notation for 3-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]oxypropan-1-ol?
The canonical SMILES for 3-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]oxypropan-1-ol is CCCNc1cc(OCCCO)nc(C(C)(C)C)n1.
What is the InChIKey of 3-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]oxypropan-1-ol?
The InChIKey is MJMQBXPXTBCAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-5-7-15-11-10-12(19-9-6-8-18)17-13(16-11)14(2,3)4/h10,18H,5-9H2,1-4H3,(H,15,16,17).
What are the key properties of 3-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]oxypropan-1-ol?
3-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]oxypropan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]oxypropan-1-ol is sourced from PubChem (CID 80966433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).