1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-4-amine

C15H25ClN4 — CID 80953701

IUPAC1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2cc(Cl)nc(C(C)(C)C)n2)CC1
InChIInChI=1S/C15H25ClN4/c1-15(2,3)14-17-12(16)10-13(18-14)20-8-6-11(7-9-20)19(4)5/h10-11H,6-9H2,1-5H3
InChIKeyYTUMZBLEMOQEAN-UHFFFAOYSA-N
MW296.85 g/mol
LogP2.96
Rot. Bonds2

About 1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-4-amine

1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-4-amine (PubChem CID 80953701) has the molecular formula C15H25ClN4 and a molecular weight of 296.85 g/mol. Its IUPAC name is 1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-4-amine
PubChem CID80953701
Molecular FormulaC15H25ClN4
Molecular Weight296.85 g/mol
Exact Mass296.18
IUPAC Name1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2cc(Cl)nc(C(C)(C)C)n2)CC1
InChIInChI=1S/C15H25ClN4/c1-15(2,3)14-17-12(16)10-13(18-14)20-8-6-11(7-9-20)19(4)5/h10-11H,6-9H2,1-5H3
InChIKeyYTUMZBLEMOQEAN-UHFFFAOYSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-4-amine (CID 80953701) is 1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(c2cc(Cl)nc(C(C)(C)C)n2)CC1.
What is the InChIKey of 1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is YTUMZBLEMOQEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4/c1-15(2,3)14-17-12(16)10-13(18-14)20-8-6-11(7-9-20)19(4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of 1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-4-amine?
1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 296.85 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 80953701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).