6-tert-butyl-N-cyclobutyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine

C19H33N5 — CID 130260837

IUPAC6-tert-butyl-N-cyclobutyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCC(C)N1CCN(c2nc(NC3CCC3)cc(C(C)(C)C)n2)CC1
InChIInChI=1S/C19H33N5/c1-14(2)23-9-11-24(12-10-23)18-21-16(19(3,4)5)13-17(22-18)20-15-7-6-8-15/h13-15H,6-12H2,1-5H3,(H,20,21,22)
InChIKeyCGAPPOACNRNDLV-UHFFFAOYSA-N
MW331.51 g/mol
LogP3.27
Rot. Bonds4

About 6-tert-butyl-N-cyclobutyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine

6-tert-butyl-N-cyclobutyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 130260837) has the molecular formula C19H33N5 and a molecular weight of 331.51 g/mol. Its IUPAC name is 6-tert-butyl-N-cyclobutyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-cyclobutyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID130260837
Molecular FormulaC19H33N5
Molecular Weight331.51 g/mol
Exact Mass331.27
IUPAC Name6-tert-butyl-N-cyclobutyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCC(C)N1CCN(c2nc(NC3CCC3)cc(C(C)(C)C)n2)CC1
InChIInChI=1S/C19H33N5/c1-14(2)23-9-11-24(12-10-23)18-21-16(19(3,4)5)13-17(22-18)20-15-7-6-8-15/h13-15H,6-12H2,1-5H3,(H,20,21,22)
InChIKeyCGAPPOACNRNDLV-UHFFFAOYSA-N
XLogP3.27
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-cyclobutyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N-cyclobutyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine (CID 130260837) is 6-tert-butyl-N-cyclobutyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N-cyclobutyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N-cyclobutyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine is CC(C)N1CCN(c2nc(NC3CCC3)cc(C(C)(C)C)n2)CC1.
What is the InChIKey of 6-tert-butyl-N-cyclobutyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is CGAPPOACNRNDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5/c1-14(2)23-9-11-24(12-10-23)18-21-16(19(3,4)5)13-17(22-18)20-15-7-6-8-15/h13-15H,6-12H2,1-5H3,(H,20,21,22).
What are the key properties of 6-tert-butyl-N-cyclobutyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine?
6-tert-butyl-N-cyclobutyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 331.51 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-cyclobutyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 130260837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).