2-tert-butyl-4-chloro-6-(2,3-dimethylpiperidin-1-yl)pyrimidine

C15H24ClN3 — CID 80951560

IUPAC2-tert-butyl-4-chloro-6-(2,3-dimethylpiperidin-1-yl)pyrimidine
SMILESCC1CCCN(c2cc(Cl)nc(C(C)(C)C)n2)C1C
InChIInChI=1S/C15H24ClN3/c1-10-7-6-8-19(11(10)2)13-9-12(16)17-14(18-13)15(3,4)5/h9-11H,6-8H2,1-5H3
InChIKeyPCCUQDMGPHWHPF-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.05
Rot. Bonds1

About 2-tert-butyl-4-chloro-6-(2,3-dimethylpiperidin-1-yl)pyrimidine

2-tert-butyl-4-chloro-6-(2,3-dimethylpiperidin-1-yl)pyrimidine (PubChem CID 80951560) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-6-(2,3-dimethylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-6-(2,3-dimethylpiperidin-1-yl)pyrimidine
PubChem CID80951560
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name2-tert-butyl-4-chloro-6-(2,3-dimethylpiperidin-1-yl)pyrimidine
SMILESCC1CCCN(c2cc(Cl)nc(C(C)(C)C)n2)C1C
InChIInChI=1S/C15H24ClN3/c1-10-7-6-8-19(11(10)2)13-9-12(16)17-14(18-13)15(3,4)5/h9-11H,6-8H2,1-5H3
InChIKeyPCCUQDMGPHWHPF-UHFFFAOYSA-N
XLogP4.05
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4aR,8aR)-1-(2-tert-butyl-6-chloropyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727530
4-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-propan-2-ylpyrimidine
CID 80951632
4-chloro-6-(2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidine
CID 106767266
2-tert-butyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80967534
1-(2-tert-butyl-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 102963119
1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 80950779
1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-4-amine
CID 80953701
2-tert-butyl-4-chloro-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidine
CID 114539092
2-[1-(2-tert-butyl-6-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
CID 107228400
4-chloro-2-(trifluoromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine
CID 106768458
2-tert-butyl-4-chloro-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidine
CID 113418376
N-[[5-chloro-2-(2,3-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114924844

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-6-(2,3-dimethylpiperidin-1-yl)pyrimidine?
The IUPAC name of 2-tert-butyl-4-chloro-6-(2,3-dimethylpiperidin-1-yl)pyrimidine (CID 80951560) is 2-tert-butyl-4-chloro-6-(2,3-dimethylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-chloro-6-(2,3-dimethylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 2-tert-butyl-4-chloro-6-(2,3-dimethylpiperidin-1-yl)pyrimidine is CC1CCCN(c2cc(Cl)nc(C(C)(C)C)n2)C1C.
What is the InChIKey of 2-tert-butyl-4-chloro-6-(2,3-dimethylpiperidin-1-yl)pyrimidine?
The InChIKey is PCCUQDMGPHWHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-10-7-6-8-19(11(10)2)13-9-12(16)17-14(18-13)15(3,4)5/h9-11H,6-8H2,1-5H3.
What are the key properties of 2-tert-butyl-4-chloro-6-(2,3-dimethylpiperidin-1-yl)pyrimidine?
2-tert-butyl-4-chloro-6-(2,3-dimethylpiperidin-1-yl)pyrimidine has a molecular weight of 281.83 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-6-(2,3-dimethylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 80951560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).