2-tert-butyl-6-chloro-N-(1-cyclohexylethyl)pyrimidin-4-amine

C16H26ClN3 — CID 80950970

IUPAC2-tert-butyl-6-chloro-N-(1-cyclohexylethyl)pyrimidin-4-amine
SMILESCC(Nc1cc(Cl)nc(C(C)(C)C)n1)C1CCCCC1
InChIInChI=1S/C16H26ClN3/c1-11(12-8-6-5-7-9-12)18-14-10-13(17)19-15(20-14)16(2,3)4/h10-12H,5-9H2,1-4H3,(H,18,19,20)
InChIKeyZQYZUAVXXZGKDO-UHFFFAOYSA-N
MW295.86 g/mol
LogP4.81
Rot. Bonds3

About 2-tert-butyl-6-chloro-N-(1-cyclohexylethyl)pyrimidin-4-amine

2-tert-butyl-6-chloro-N-(1-cyclohexylethyl)pyrimidin-4-amine (PubChem CID 80950970) 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-cyclohexylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-(1-cyclohexylethyl)pyrimidin-4-amine
PubChem CID80950970
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name2-tert-butyl-6-chloro-N-(1-cyclohexylethyl)pyrimidin-4-amine
SMILESCC(Nc1cc(Cl)nc(C(C)(C)C)n1)C1CCCCC1
InChIInChI=1S/C16H26ClN3/c1-11(12-8-6-5-7-9-12)18-14-10-13(17)19-15(20-14)16(2,3)4/h10-12H,5-9H2,1-4H3,(H,18,19,20)
InChIKeyZQYZUAVXXZGKDO-UHFFFAOYSA-N
XLogP4.81
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 ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-6-chloro-N-(dicyclopropylmethyl)pyrimidin-4-amine
CID 80953223
2-chloro-6-(1-cyclohexylethylamino)pyridine-4-carboxylic acid
CID 63538856
2-chloro-N-(1-cyclohexylethyl)-6-methylpyrimidin-4-amine
CID 62483644
6-chloro-N-(1-cyclopropylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80954067
2-tert-butyl-6-chloro-N-(1-cyclopentylethyl)-5-methylpyrimidin-4-amine
CID 80978132
4-N-(1-cyclopentylethyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772128
N,2-ditert-butyl-6-chloropyrimidin-4-amine
CID 80948203
2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80950997
2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carboxylic acid
CID 43533609
2-tert-butyl-6-chloro-N-(oxan-3-yl)pyrimidin-4-amine
CID 80951283
2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carbonitrile
CID 83072956
2-tert-butyl-4-N-(1-cyclopentylethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80984630

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-(1-cyclohexylethyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-N-(1-cyclohexylethyl)pyrimidin-4-amine (CID 80950970) is 2-tert-butyl-6-chloro-N-(1-cyclohexylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-(1-cyclohexylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-N-(1-cyclohexylethyl)pyrimidin-4-amine is CC(Nc1cc(Cl)nc(C(C)(C)C)n1)C1CCCCC1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-(1-cyclohexylethyl)pyrimidin-4-amine?
The InChIKey is ZQYZUAVXXZGKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-11(12-8-6-5-7-9-12)18-14-10-13(17)19-15(20-14)16(2,3)4/h10-12H,5-9H2,1-4H3,(H,18,19,20).
What are the key properties of 2-tert-butyl-6-chloro-N-(1-cyclohexylethyl)pyrimidin-4-amine?
2-tert-butyl-6-chloro-N-(1-cyclohexylethyl)pyrimidin-4-amine has a molecular weight of 295.86 g/mol, XLogP of 4.81, 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-cyclohexylethyl)pyrimidin-4-amine is sourced from PubChem (CID 80950970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).