4,6-dimethoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine

C12H15N3O2S — CID 115354957

IUPAC4,6-dimethoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
SMILESCOc1cc(OC)nc(NC(C)c2cccs2)n1
InChIInChI=1S/C12H15N3O2S/c1-8(9-5-4-6-18-9)13-12-14-10(16-2)7-11(15-12)17-3/h4-8H,1-3H3,(H,13,14,15)
InChIKeyHHIGGPWAWKXOMO-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.73
Rot. Bonds5

About 4,6-dimethoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine

4,6-dimethoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine (PubChem CID 115354957) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 4,6-dimethoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
PubChem CID115354957
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name4,6-dimethoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
SMILESCOc1cc(OC)nc(NC(C)c2cccs2)n1
InChIInChI=1S/C12H15N3O2S/c1-8(9-5-4-6-18-9)13-12-14-10(16-2)7-11(15-12)17-3/h4-8H,1-3H3,(H,13,14,15)
InChIKeyHHIGGPWAWKXOMO-UHFFFAOYSA-N
XLogP2.73
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-thiophen-2-ylacetic acid
CID 115354802
4-methyl-6-propoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 112636733
N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 43397770
3,5-dimethoxy-N-(1-thiophen-2-ylethyl)aniline
CID 43192817
4,6-dimethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine
CID 115355155
4-methoxy-6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine
CID 112691799
4-methyl-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 62958907
6-ethoxy-4-N-methyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80781075
6-ethoxy-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80780976
6-chloro-4-N-ethyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80780980
4-methyl-6-propan-2-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine;yttrium
CID 59879797
6-chloro-2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 62863344

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine (CID 115354957) is 4,6-dimethoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine is COc1cc(OC)nc(NC(C)c2cccs2)n1.
What is the InChIKey of 4,6-dimethoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine?
The InChIKey is HHIGGPWAWKXOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-8(9-5-4-6-18-9)13-12-14-10(16-2)7-11(15-12)17-3/h4-8H,1-3H3,(H,13,14,15).
What are the key properties of 4,6-dimethoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine?
4,6-dimethoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine has a molecular weight of 265.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 115354957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).