1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine

C15H25ClN4 — CID 80950779

IUPAC1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(c2cc(Cl)nc(C(C)(C)C)n2)C1
InChIInChI=1S/C15H25ClN4/c1-15(2,3)14-17-12(16)9-13(18-14)20-8-6-7-11(10-20)19(4)5/h9,11H,6-8,10H2,1-5H3
InChIKeyMISCXZSITCGWKJ-UHFFFAOYSA-N
MW296.85 g/mol
LogP2.96
Rot. Bonds2

About 1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine

1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine (PubChem CID 80950779) 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-3-amine.

Molecular Properties

Compound Name1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine
PubChem CID80950779
Molecular FormulaC15H25ClN4
Molecular Weight296.85 g/mol
Exact Mass296.18
IUPAC Name1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(c2cc(Cl)nc(C(C)(C)C)n2)C1
InChIInChI=1S/C15H25ClN4/c1-15(2,3)14-17-12(16)9-13(18-14)20-8-6-7-11(10-20)19(4)5/h9,11H,6-8,10H2,1-5H3
InChIKeyMISCXZSITCGWKJ-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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Related Compounds

4-Chloro-6-piperidin-1-ylpyrimidine
CID 597870
6-chloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 13151078
6-chloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
CID 13151080
N4-isopropyl-N4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 54582867
4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 15567718
2-Tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 25130573
4-Chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 1484519
4-Chloro-6-(4-methylpiperazin-1-yl)pyrimidine
CID 8178074
6-chloro-N~4~,N~4~-dipropyl-2,4-pyrimidinediamine
CID 1484284
4-Chloro-6-piperidin-1-yl-pyrimidin-2-ylamine
CID 1484289
4,6-Dichloro-2-(piperidin-1-yl)pyrimidine
CID 231258
4-Chloro-2,6-di(piperidin-1-yl)pyrimidine
CID 248641

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine (CID 80950779) is 1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine is CN(C)C1CCCN(c2cc(Cl)nc(C(C)(C)C)n2)C1.
What is the InChIKey of 1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine?
The InChIKey is MISCXZSITCGWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4/c1-15(2,3)14-17-12(16)9-13(18-14)20-8-6-7-11(10-20)19(4)5/h9,11H,6-8,10H2,1-5H3.
What are the key properties of 1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine?
1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-3-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-3-amine is sourced from PubChem (CID 80950779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).