4-tert-butyl-6-[4-[3-(dimethylamino)propyl]piperazin-1-yl]pyrimidin-2-amine

C17H32N6 — CID 67301765

IUPAC4-tert-butyl-6-[4-[3-(dimethylamino)propyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCN(C)CCCN1CCN(c2cc(C(C)(C)C)nc(N)n2)CC1
InChIInChI=1S/C17H32N6/c1-17(2,3)14-13-15(20-16(18)19-14)23-11-9-22(10-12-23)8-6-7-21(4)5/h13H,6-12H2,1-5H3,(H2,18,19,20)
InChIKeyHHEYDFXXSFTZNX-UHFFFAOYSA-N
MW320.49 g/mol
LogP1.43
Rot. Bonds5

About 4-tert-butyl-6-[4-[3-(dimethylamino)propyl]piperazin-1-yl]pyrimidin-2-amine

4-tert-butyl-6-[4-[3-(dimethylamino)propyl]piperazin-1-yl]pyrimidin-2-amine (PubChem CID 67301765) has the molecular formula C17H32N6 and a molecular weight of 320.49 g/mol. Its IUPAC name is 4-tert-butyl-6-[4-[3-(dimethylamino)propyl]piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-6-[4-[3-(dimethylamino)propyl]piperazin-1-yl]pyrimidin-2-amine
PubChem CID67301765
Molecular FormulaC17H32N6
Molecular Weight320.49 g/mol
Exact Mass320.27
IUPAC Name4-tert-butyl-6-[4-[3-(dimethylamino)propyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCN(C)CCCN1CCN(c2cc(C(C)(C)C)nc(N)n2)CC1
InChIInChI=1S/C17H32N6/c1-17(2,3)14-13-15(20-16(18)19-14)23-11-9-22(10-12-23)8-6-7-21(4)5/h13H,6-12H2,1-5H3,(H2,18,19,20)
InChIKeyHHEYDFXXSFTZNX-UHFFFAOYSA-N
XLogP1.43
TPSA61.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.49
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-[4-[3-(dimethylamino)propyl]piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-tert-butyl-6-[4-[3-(dimethylamino)propyl]piperazin-1-yl]pyrimidin-2-amine (CID 67301765) is 4-tert-butyl-6-[4-[3-(dimethylamino)propyl]piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-tert-butyl-6-[4-[3-(dimethylamino)propyl]piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-tert-butyl-6-[4-[3-(dimethylamino)propyl]piperazin-1-yl]pyrimidin-2-amine is CN(C)CCCN1CCN(c2cc(C(C)(C)C)nc(N)n2)CC1.
What is the InChIKey of 4-tert-butyl-6-[4-[3-(dimethylamino)propyl]piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is HHEYDFXXSFTZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N6/c1-17(2,3)14-13-15(20-16(18)19-14)23-11-9-22(10-12-23)8-6-7-21(4)5/h13H,6-12H2,1-5H3,(H2,18,19,20).
What are the key properties of 4-tert-butyl-6-[4-[3-(dimethylamino)propyl]piperazin-1-yl]pyrimidin-2-amine?
4-tert-butyl-6-[4-[3-(dimethylamino)propyl]piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 320.49 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-[4-[3-(dimethylamino)propyl]piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 67301765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).