6-tert-butyl-2-(2-methoxypropan-2-yl)-N-propylpyrimidin-4-amine

C15H27N3O — CID 79197478

IUPAC6-tert-butyl-2-(2-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)(C)C)nc(C(C)(C)OC)n1
InChIInChI=1S/C15H27N3O/c1-8-9-16-12-10-11(14(2,3)4)17-13(18-12)15(5,6)19-7/h10H,8-9H2,1-7H3,(H,16,17,18)
InChIKeyJRUXAMICEWLJSX-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.48
Rot. Bonds5

About 6-tert-butyl-2-(2-methoxypropan-2-yl)-N-propylpyrimidin-4-amine

6-tert-butyl-2-(2-methoxypropan-2-yl)-N-propylpyrimidin-4-amine (PubChem CID 79197478) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 6-tert-butyl-2-(2-methoxypropan-2-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-(2-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
PubChem CID79197478
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name6-tert-butyl-2-(2-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)(C)C)nc(C(C)(C)OC)n1
InChIInChI=1S/C15H27N3O/c1-8-9-16-12-10-11(14(2,3)4)17-13(18-12)15(5,6)19-7/h10H,8-9H2,1-7H3,(H,16,17,18)
InChIKeyJRUXAMICEWLJSX-UHFFFAOYSA-N
XLogP3.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-tert-butyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine
CID 116775920
6-tert-butyl-2-(1-methoxyethyl)-N-propylpyrimidin-4-amine
CID 79616490
6-tert-butyl-2-(2-methoxyethyl)-N-propylpyrimidin-4-amine
CID 62192335
2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 62192687
6-tert-butyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine
CID 79089262
3-[(2,6-ditert-butylpyrimidin-4-yl)amino]propan-1-ol
CID 133381809
2-tert-butyl-4-N-propylpyrimidine-4,6-diamine
CID 80957078
6-tert-butyl-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine
CID 116633181
2-tert-butyl-6-(2-methylbutan-2-yloxy)-N-propylpyrimidin-4-amine
CID 80966505
2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 106332144
2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955764
6-tert-butyl-N-propyl-2-pyrazin-2-ylpyrimidin-4-amine
CID 62191984

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(2-methoxypropan-2-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-(2-methoxypropan-2-yl)-N-propylpyrimidin-4-amine (CID 79197478) is 6-tert-butyl-2-(2-methoxypropan-2-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-(2-methoxypropan-2-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-(2-methoxypropan-2-yl)-N-propylpyrimidin-4-amine is CCCNc1cc(C(C)(C)C)nc(C(C)(C)OC)n1.
What is the InChIKey of 6-tert-butyl-2-(2-methoxypropan-2-yl)-N-propylpyrimidin-4-amine?
The InChIKey is JRUXAMICEWLJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-8-9-16-12-10-11(14(2,3)4)17-13(18-12)15(5,6)19-7/h10H,8-9H2,1-7H3,(H,16,17,18).
What are the key properties of 6-tert-butyl-2-(2-methoxypropan-2-yl)-N-propylpyrimidin-4-amine?
6-tert-butyl-2-(2-methoxypropan-2-yl)-N-propylpyrimidin-4-amine has a molecular weight of 265.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(2-methoxypropan-2-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 79197478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).