6-chloro-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-methylpyrimidin-4-amine

C14H18ClN3S — CID 133349950

IUPAC6-chloro-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-methylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(NC(c2cccs2)C(C)(C)C)n1
InChIInChI=1S/C14H18ClN3S/c1-9-16-11(15)8-12(17-9)18-13(14(2,3)4)10-6-5-7-19-10/h5-8,13H,1-4H3,(H,16,17,18)
InChIKeyGYABRBBAKPZHCR-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.70
Rot. Bonds3

About 6-chloro-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-methylpyrimidin-4-amine

6-chloro-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-methylpyrimidin-4-amine (PubChem CID 133349950) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 6-chloro-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-methylpyrimidin-4-amine
PubChem CID133349950
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name6-chloro-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-methylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(NC(c2cccs2)C(C)(C)C)n1
InChIInChI=1S/C14H18ClN3S/c1-9-16-11(15)8-12(17-9)18-13(14(2,3)4)10-6-5-7-19-10/h5-8,13H,1-4H3,(H,16,17,18)
InChIKeyGYABRBBAKPZHCR-UHFFFAOYSA-N
XLogP4.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-methylpyrimidin-4-amine
CID 133349963
6-chloro-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,4-diamine
CID 114070560
6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80940733
6-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 55080193
5-chloro-6-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carboxamide
CID 133349938
N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133397375
N-(6-chloro-2-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 108777084
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133349942
N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine
CID 94454151
2-chloro-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 62480981
N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide
CID 133387741
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 121204763

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-methylpyrimidin-4-amine (CID 133349950) is 6-chloro-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-methylpyrimidin-4-amine is Cc1nc(Cl)cc(NC(c2cccs2)C(C)(C)C)n1.
What is the InChIKey of 6-chloro-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-methylpyrimidin-4-amine?
The InChIKey is GYABRBBAKPZHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-9-16-11(15)8-12(17-9)18-13(14(2,3)4)10-6-5-7-19-10/h5-8,13H,1-4H3,(H,16,17,18).
What are the key properties of 6-chloro-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-methylpyrimidin-4-amine?
6-chloro-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-methylpyrimidin-4-amine has a molecular weight of 295.84 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 133349950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).