2-tert-butyl-6-chloro-N-(1-cyclopentylethyl)-5-methylpyrimidin-4-amine

C16H26ClN3 — CID 80978132

IUPAC2-tert-butyl-6-chloro-N-(1-cyclopentylethyl)-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1NC(C)C1CCCC1
InChIInChI=1S/C16H26ClN3/c1-10-13(17)19-15(16(3,4)5)20-14(10)18-11(2)12-8-6-7-9-12/h11-12H,6-9H2,1-5H3,(H,18,19,20)
InChIKeyXYAACIYNJGSKOD-UHFFFAOYSA-N
MW295.86 g/mol
LogP4.73
Rot. Bonds3

About 2-tert-butyl-6-chloro-N-(1-cyclopentylethyl)-5-methylpyrimidin-4-amine

2-tert-butyl-6-chloro-N-(1-cyclopentylethyl)-5-methylpyrimidin-4-amine (PubChem CID 80978132) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-(1-cyclopentylethyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-(1-cyclopentylethyl)-5-methylpyrimidin-4-amine
PubChem CID80978132
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name2-tert-butyl-6-chloro-N-(1-cyclopentylethyl)-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1NC(C)C1CCCC1
InChIInChI=1S/C16H26ClN3/c1-10-13(17)19-15(16(3,4)5)20-14(10)18-11(2)12-8-6-7-9-12/h11-12H,6-9H2,1-5H3,(H,18,19,20)
InChIKeyXYAACIYNJGSKOD-UHFFFAOYSA-N
XLogP4.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-N-(1-cyclopentylethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80984630
2-tert-butyl-6-chloro-N-(1-cyclohexylethyl)pyrimidin-4-amine
CID 80950970
3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol
CID 83186603
2-[4-[[(1R)-1-cyclobutylethyl]amino]-5,6-dimethylpyrimidin-2-yl]propan-2-ol
CID 144678176
2-tert-butyl-6-chloro-N-(3-ethylpentan-3-yl)-5-methylpyrimidin-4-amine
CID 80978304
2-tert-butyl-6-chloro-5-methyl-N-pent-4-en-2-ylpyrimidin-4-amine
CID 114156798
4-N-(1-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80835008
2-tert-butyl-6-chloro-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 106214361
2-tert-butyl-6-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-5-methylpyrimidin-4-amine
CID 81042385
6-chloro-N-(1-cyclopropylethyl)-5-methylpyrimidin-4-amine
CID 63730461
4-N-(1-cyclopentylethyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80983559
4-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106192257

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-(1-cyclopentylethyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-N-(1-cyclopentylethyl)-5-methylpyrimidin-4-amine (CID 80978132) is 2-tert-butyl-6-chloro-N-(1-cyclopentylethyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-(1-cyclopentylethyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-N-(1-cyclopentylethyl)-5-methylpyrimidin-4-amine is Cc1c(Cl)nc(C(C)(C)C)nc1NC(C)C1CCCC1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-(1-cyclopentylethyl)-5-methylpyrimidin-4-amine?
The InChIKey is XYAACIYNJGSKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-10-13(17)19-15(16(3,4)5)20-14(10)18-11(2)12-8-6-7-9-12/h11-12H,6-9H2,1-5H3,(H,18,19,20).
What are the key properties of 2-tert-butyl-6-chloro-N-(1-cyclopentylethyl)-5-methylpyrimidin-4-amine?
2-tert-butyl-6-chloro-N-(1-cyclopentylethyl)-5-methylpyrimidin-4-amine has a molecular weight of 295.86 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-(1-cyclopentylethyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80978132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).