2-tert-butyl-N-methyl-6-(2-methylbutan-2-yloxy)pyrimidin-4-amine

C14H25N3O — CID 80966607

IUPAC2-tert-butyl-N-methyl-6-(2-methylbutan-2-yloxy)pyrimidin-4-amine
SMILESCCC(C)(C)Oc1cc(NC)nc(C(C)(C)C)n1
InChIInChI=1S/C14H25N3O/c1-8-14(5,6)18-11-9-10(15-7)16-12(17-11)13(2,3)4/h9H,8H2,1-7H3,(H,15,16,17)
InChIKeyKBENPRMBHWUQKJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.38
Rot. Bonds4

About 2-tert-butyl-N-methyl-6-(2-methylbutan-2-yloxy)pyrimidin-4-amine

2-tert-butyl-N-methyl-6-(2-methylbutan-2-yloxy)pyrimidin-4-amine (PubChem CID 80966607) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-tert-butyl-N-methyl-6-(2-methylbutan-2-yloxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-methyl-6-(2-methylbutan-2-yloxy)pyrimidin-4-amine
PubChem CID80966607
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-tert-butyl-N-methyl-6-(2-methylbutan-2-yloxy)pyrimidin-4-amine
SMILESCCC(C)(C)Oc1cc(NC)nc(C(C)(C)C)n1
InChIInChI=1S/C14H25N3O/c1-8-14(5,6)18-11-9-10(15-7)16-12(17-11)13(2,3)4/h9H,8H2,1-7H3,(H,15,16,17)
InChIKeyKBENPRMBHWUQKJ-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-6-(2-methylbutan-2-yloxy)-N-propylpyrimidin-4-amine
CID 80966505
4-N-methyl-6-(2-methylbutan-2-yloxy)pyrimidine-2,4-diamine
CID 80861815
2-tert-butyl-6-[2-(diethylamino)ethoxy]-N-methylpyrimidin-4-amine
CID 80963364
2-tert-butyl-4-N-(2-ethoxyethyl)-6-N-methylpyrimidine-4,6-diamine
CID 80966986
[2-tert-butyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]hydrazine
CID 80968204
2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine
CID 80965456
2-tert-butyl-N-methyl-6-propylpyrimidin-4-amine
CID 62192152
2-tert-butyl-6-(4-iodophenoxy)-N-methylpyrimidin-4-amine
CID 80966565
2,6-ditert-butyl-N-methylpyrimidin-4-amine
CID 62192327
(2-tert-butyl-6-ethoxypyrimidin-4-yl)hydrazine
CID 80968739
2-tert-butyl-N-methyl-6-(3-methylcyclohexyl)oxypyrimidin-4-amine
CID 80965644
2-tert-butyl-N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine
CID 80956995

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-methyl-6-(2-methylbutan-2-yloxy)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-methyl-6-(2-methylbutan-2-yloxy)pyrimidin-4-amine (CID 80966607) is 2-tert-butyl-N-methyl-6-(2-methylbutan-2-yloxy)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-methyl-6-(2-methylbutan-2-yloxy)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-methyl-6-(2-methylbutan-2-yloxy)pyrimidin-4-amine is CCC(C)(C)Oc1cc(NC)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-methyl-6-(2-methylbutan-2-yloxy)pyrimidin-4-amine?
The InChIKey is KBENPRMBHWUQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-8-14(5,6)18-11-9-10(15-7)16-12(17-11)13(2,3)4/h9H,8H2,1-7H3,(H,15,16,17).
What are the key properties of 2-tert-butyl-N-methyl-6-(2-methylbutan-2-yloxy)pyrimidin-4-amine?
2-tert-butyl-N-methyl-6-(2-methylbutan-2-yloxy)pyrimidin-4-amine has a molecular weight of 251.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-methyl-6-(2-methylbutan-2-yloxy)pyrimidin-4-amine is sourced from PubChem (CID 80966607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).