2-tert-butyl-N,5-dimethyl-6-(5-methyl-3-pyridinyl)pyrimidin-4-amine

C16H22N4 — CID 115375469

IUPAC2-tert-butyl-N,5-dimethyl-6-(5-methyl-3-pyridinyl)pyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(-c2cncc(C)c2)c1C
InChIInChI=1S/C16H22N4/c1-10-7-12(9-18-8-10)13-11(2)14(17-6)20-15(19-13)16(3,4)5/h7-9H,1-6H3,(H,17,19,20)
InChIKeyNHONXUCTMYVXGD-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.49
Rot. Bonds2

About 2-tert-butyl-N,5-dimethyl-6-(5-methyl-3-pyridinyl)pyrimidin-4-amine

2-tert-butyl-N,5-dimethyl-6-(5-methyl-3-pyridinyl)pyrimidin-4-amine (PubChem CID 115375469) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-tert-butyl-N,5-dimethyl-6-(5-methyl-3-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N,5-dimethyl-6-(5-methyl-3-pyridinyl)pyrimidin-4-amine
PubChem CID115375469
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-tert-butyl-N,5-dimethyl-6-(5-methyl-3-pyridinyl)pyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(-c2cncc(C)c2)c1C
InChIInChI=1S/C16H22N4/c1-10-7-12(9-18-8-10)13-11(2)14(17-6)20-15(19-13)16(3,4)5/h7-9H,1-6H3,(H,17,19,20)
InChIKeyNHONXUCTMYVXGD-UHFFFAOYSA-N
XLogP3.49
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,5-dimethyl-6-(5-methyl-3-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N,5-dimethyl-6-(5-methyl-3-pyridinyl)pyrimidin-4-amine (CID 115375469) is 2-tert-butyl-N,5-dimethyl-6-(5-methyl-3-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N,5-dimethyl-6-(5-methyl-3-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N,5-dimethyl-6-(5-methyl-3-pyridinyl)pyrimidin-4-amine is CNc1nc(C(C)(C)C)nc(-c2cncc(C)c2)c1C.
What is the InChIKey of 2-tert-butyl-N,5-dimethyl-6-(5-methyl-3-pyridinyl)pyrimidin-4-amine?
The InChIKey is NHONXUCTMYVXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-10-7-12(9-18-8-10)13-11(2)14(17-6)20-15(19-13)16(3,4)5/h7-9H,1-6H3,(H,17,19,20).
What are the key properties of 2-tert-butyl-N,5-dimethyl-6-(5-methyl-3-pyridinyl)pyrimidin-4-amine?
2-tert-butyl-N,5-dimethyl-6-(5-methyl-3-pyridinyl)pyrimidin-4-amine has a molecular weight of 270.38 g/mol, XLogP of 3.49, 2 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-(5-methyl-3-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 115375469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).