azane;2-butan-2-yl-6-(4-methoxyphenyl)pyrimidin-4-amine

C15H22N4O — CID 71007907

IUPACazane;2-butan-2-yl-6-(4-methoxyphenyl)pyrimidin-4-amine
SMILESCCC(C)c1nc(N)cc(-c2ccc(OC)cc2)n1.N
InChIInChI=1S/C15H19N3O.H3N/c1-4-10(2)15-17-13(9-14(16)18-15)11-5-7-12(19-3)8-6-11;/h5-10H,4H2,1-3H3,(H2,16,17,18);1H3
InChIKeyMYXJTSPDWNGCQF-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.41
Rot. Bonds4

About azane;2-butan-2-yl-6-(4-methoxyphenyl)pyrimidin-4-amine

azane;2-butan-2-yl-6-(4-methoxyphenyl)pyrimidin-4-amine (PubChem CID 71007907) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is azane;2-butan-2-yl-6-(4-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Nameazane;2-butan-2-yl-6-(4-methoxyphenyl)pyrimidin-4-amine
PubChem CID71007907
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Nameazane;2-butan-2-yl-6-(4-methoxyphenyl)pyrimidin-4-amine
SMILESCCC(C)c1nc(N)cc(-c2ccc(OC)cc2)n1.N
InChIInChI=1S/C15H19N3O.H3N/c1-4-10(2)15-17-13(9-14(16)18-15)11-5-7-12(19-3)8-6-11;/h5-10H,4H2,1-3H3,(H2,16,17,18);1H3
InChIKeyMYXJTSPDWNGCQF-UHFFFAOYSA-N
XLogP3.41
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of azane;2-butan-2-yl-6-(4-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of azane;2-butan-2-yl-6-(4-methoxyphenyl)pyrimidin-4-amine (CID 71007907) is azane;2-butan-2-yl-6-(4-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for azane;2-butan-2-yl-6-(4-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for azane;2-butan-2-yl-6-(4-methoxyphenyl)pyrimidin-4-amine is CCC(C)c1nc(N)cc(-c2ccc(OC)cc2)n1.N.
What is the InChIKey of azane;2-butan-2-yl-6-(4-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is MYXJTSPDWNGCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O.H3N/c1-4-10(2)15-17-13(9-14(16)18-15)11-5-7-12(19-3)8-6-11;/h5-10H,4H2,1-3H3,(H2,16,17,18);1H3.
What are the key properties of azane;2-butan-2-yl-6-(4-methoxyphenyl)pyrimidin-4-amine?
azane;2-butan-2-yl-6-(4-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 274.37 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-butan-2-yl-6-(4-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 71007907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).