2-tert-butyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine

C13H23N3O — CID 80989428

IUPAC2-tert-butyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(OC(C)C)c1C
InChIInChI=1S/C13H23N3O/c1-8(2)17-11-9(3)10(14-7)15-12(16-11)13(4,5)6/h8H,1-7H3,(H,14,15,16)
InChIKeyGXLHUNIPZCQANL-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.91
Rot. Bonds3

About 2-tert-butyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine

2-tert-butyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine (PubChem CID 80989428) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-tert-butyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
PubChem CID80989428
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-tert-butyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(OC(C)C)c1C
InChIInChI=1S/C13H23N3O/c1-8(2)17-11-9(3)10(14-7)15-12(16-11)13(4,5)6/h8H,1-7H3,(H,14,15,16)
InChIKeyGXLHUNIPZCQANL-UHFFFAOYSA-N
XLogP2.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-butan-2-yloxy-2-tert-butyl-N,5-dimethylpyrimidin-4-amine
CID 80988606
2-tert-butyl-6-(2,2-difluoroethoxy)-N,5-dimethylpyrimidin-4-amine
CID 82010167
2-tert-butyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine
CID 80988043
2-ethyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80988466
2-tert-butyl-N,5-dimethyl-6-phenoxypyrimidin-4-amine
CID 80987975
2-cyclopropyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80988574
6-butan-2-yloxy-2-tert-butyl-5-methyl-N-propylpyrimidin-4-amine
CID 80988066
2-tert-butyl-4-N-(1-cyclopentylethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80984630
2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 103491535
2-tert-butyl-4-N-[2-(dimethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80982434
2-tert-butyl-N,5-dimethyl-6-(oxan-4-ylmethoxy)pyrimidin-4-amine
CID 80991354
2-tert-butyl-6-N,5-dimethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
CID 80983553

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine (CID 80989428) is 2-tert-butyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine is CNc1nc(C(C)(C)C)nc(OC(C)C)c1C.
What is the InChIKey of 2-tert-butyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine?
The InChIKey is GXLHUNIPZCQANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-8(2)17-11-9(3)10(14-7)15-12(16-11)13(4,5)6/h8H,1-7H3,(H,14,15,16).
What are the key properties of 2-tert-butyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine?
2-tert-butyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine is sourced from PubChem (CID 80989428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).