2-tert-butyl-N-(1-cyclopropylpiperidin-4-yl)pyrimidin-4-amine

C16H26N4 — CID 133333719

IUPAC2-tert-butyl-N-(1-cyclopropylpiperidin-4-yl)pyrimidin-4-amine
SMILESCC(C)(C)c1nccc(NC2CCN(C3CC3)CC2)n1
InChIInChI=1S/C16H26N4/c1-16(2,3)15-17-9-6-14(19-15)18-12-7-10-20(11-8-12)13-4-5-13/h6,9,12-13H,4-5,7-8,10-11H2,1-3H3,(H,17,18,19)
InChIKeyYJTDSFPZIVBFDL-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.81
Rot. Bonds3

About 2-tert-butyl-N-(1-cyclopropylpiperidin-4-yl)pyrimidin-4-amine

2-tert-butyl-N-(1-cyclopropylpiperidin-4-yl)pyrimidin-4-amine (PubChem CID 133333719) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-tert-butyl-N-(1-cyclopropylpiperidin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(1-cyclopropylpiperidin-4-yl)pyrimidin-4-amine
PubChem CID133333719
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name2-tert-butyl-N-(1-cyclopropylpiperidin-4-yl)pyrimidin-4-amine
SMILESCC(C)(C)c1nccc(NC2CCN(C3CC3)CC2)n1
InChIInChI=1S/C16H26N4/c1-16(2,3)15-17-9-6-14(19-15)18-12-7-10-20(11-8-12)13-4-5-13/h6,9,12-13H,4-5,7-8,10-11H2,1-3H3,(H,17,18,19)
InChIKeyYJTDSFPZIVBFDL-UHFFFAOYSA-N
XLogP2.81
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.81
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-(1-cyclopropylpiperidin-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-(1-cyclopropylpiperidin-4-yl)pyrimidin-4-amine (CID 133333719) is 2-tert-butyl-N-(1-cyclopropylpiperidin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-(1-cyclopropylpiperidin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-(1-cyclopropylpiperidin-4-yl)pyrimidin-4-amine is CC(C)(C)c1nccc(NC2CCN(C3CC3)CC2)n1.
What is the InChIKey of 2-tert-butyl-N-(1-cyclopropylpiperidin-4-yl)pyrimidin-4-amine?
The InChIKey is YJTDSFPZIVBFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-16(2,3)15-17-9-6-14(19-15)18-12-7-10-20(11-8-12)13-4-5-13/h6,9,12-13H,4-5,7-8,10-11H2,1-3H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-N-(1-cyclopropylpiperidin-4-yl)pyrimidin-4-amine?
2-tert-butyl-N-(1-cyclopropylpiperidin-4-yl)pyrimidin-4-amine has a molecular weight of 274.41 g/mol, XLogP of 2.81, 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-(1-cyclopropylpiperidin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 133333719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).