6-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine

C15H25ClN4 — CID 106193946

IUPAC6-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCC1CCN(CCNc2cc(Cl)nc(C(C)C)n2)CC1
InChIInChI=1S/C15H25ClN4/c1-11(2)15-18-13(16)10-14(19-15)17-6-9-20-7-4-12(3)5-8-20/h10-12H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyLYETUIWUTFDKIH-UHFFFAOYSA-N
MW296.85 g/mol
LogP3.40
Rot. Bonds5

About 6-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 106193946) has the molecular formula C15H25ClN4 and a molecular weight of 296.85 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
PubChem CID106193946
Molecular FormulaC15H25ClN4
Molecular Weight296.85 g/mol
Exact Mass296.18
IUPAC Name6-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCC1CCN(CCNc2cc(Cl)nc(C(C)C)n2)CC1
InChIInChI=1S/C15H25ClN4/c1-11(2)15-18-13(16)10-14(19-15)17-6-9-20-7-4-12(3)5-8-20/h10-12H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyLYETUIWUTFDKIH-UHFFFAOYSA-N
XLogP3.40
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(3-cyclopentylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 106013954
6-bromo-2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrimidin-4-amine
CID 106193958
6-chloro-N-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953834
6-methyl-N-(2-piperazin-1-ylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 43600421
6-hydrazinyl-2-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 106327653
6-chloro-N-(2-ethoxyethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80954148
5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 106137297
N-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80953327
2-[[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80951072
6-chloro-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80950784
6-chloro-2-propan-2-yl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 114137332
6-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridine-2,6-diamine
CID 80647391

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine (CID 106193946) is 6-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine is CC1CCN(CCNc2cc(Cl)nc(C(C)C)n2)CC1.
What is the InChIKey of 6-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is LYETUIWUTFDKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4/c1-11(2)15-18-13(16)10-14(19-15)17-6-9-20-7-4-12(3)5-8-20/h10-12H,4-9H2,1-3H3,(H,17,18,19).
What are the key properties of 6-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 296.85 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 106193946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).