6-butan-2-yloxy-2-tert-butyl-N,5-dimethylpyrimidin-4-amine

C14H25N3O — CID 80988606

IUPAC6-butan-2-yloxy-2-tert-butyl-N,5-dimethylpyrimidin-4-amine
SMILESCCC(C)Oc1nc(C(C)(C)C)nc(NC)c1C
InChIInChI=1S/C14H25N3O/c1-8-9(2)18-12-10(3)11(15-7)16-13(17-12)14(4,5)6/h9H,8H2,1-7H3,(H,15,16,17)
InChIKeyACIRQGHKCZRLOS-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.30
Rot. Bonds4

About 6-butan-2-yloxy-2-tert-butyl-N,5-dimethylpyrimidin-4-amine

6-butan-2-yloxy-2-tert-butyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 80988606) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 6-butan-2-yloxy-2-tert-butyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-butan-2-yloxy-2-tert-butyl-N,5-dimethylpyrimidin-4-amine
PubChem CID80988606
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name6-butan-2-yloxy-2-tert-butyl-N,5-dimethylpyrimidin-4-amine
SMILESCCC(C)Oc1nc(C(C)(C)C)nc(NC)c1C
InChIInChI=1S/C14H25N3O/c1-8-9(2)18-12-10(3)11(15-7)16-13(17-12)14(4,5)6/h9H,8H2,1-7H3,(H,15,16,17)
InChIKeyACIRQGHKCZRLOS-UHFFFAOYSA-N
XLogP3.30
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-butan-2-yloxy-2-tert-butyl-5-methyl-N-propylpyrimidin-4-amine
CID 80988066
2-tert-butyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80989428
2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 103491535
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-tert-butyl-4-N-[2-(dimethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80982434
6-butan-2-yloxy-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80987958
2-tert-butyl-N,5-dimethyl-6-phenoxypyrimidin-4-amine
CID 80987975
2-ethyl-N,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80990397
2-tert-butyl-6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethylpyrimidin-4-amine
CID 116806064
2-ethyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80988466
2-tert-butyl-4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 114944764

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yloxy-2-tert-butyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-butan-2-yloxy-2-tert-butyl-N,5-dimethylpyrimidin-4-amine (CID 80988606) is 6-butan-2-yloxy-2-tert-butyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-butan-2-yloxy-2-tert-butyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-butan-2-yloxy-2-tert-butyl-N,5-dimethylpyrimidin-4-amine is CCC(C)Oc1nc(C(C)(C)C)nc(NC)c1C.
What is the InChIKey of 6-butan-2-yloxy-2-tert-butyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is ACIRQGHKCZRLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-8-9(2)18-12-10(3)11(15-7)16-13(17-12)14(4,5)6/h9H,8H2,1-7H3,(H,15,16,17).
What are the key properties of 6-butan-2-yloxy-2-tert-butyl-N,5-dimethylpyrimidin-4-amine?
6-butan-2-yloxy-2-tert-butyl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 251.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yloxy-2-tert-butyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80988606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).