4-methoxy-6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine

C13H17N3OS — CID 112691799

IUPAC4-methoxy-6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(NC(C)c2ccc(C)s2)n1
InChIInChI=1S/C13H17N3OS/c1-8-7-12(17-4)16-13(14-8)15-10(3)11-6-5-9(2)18-11/h5-7,10H,1-4H3,(H,14,15,16)
InChIKeyAVGPUSNDSQIBTH-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.34
Rot. Bonds4

About 4-methoxy-6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine

4-methoxy-6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine (PubChem CID 112691799) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 4-methoxy-6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine
PubChem CID112691799
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name4-methoxy-6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(NC(C)c2ccc(C)s2)n1
InChIInChI=1S/C13H17N3OS/c1-8-7-12(17-4)16-13(14-8)15-10(3)11-6-5-9(2)18-11/h5-7,10H,1-4H3,(H,14,15,16)
InChIKeyAVGPUSNDSQIBTH-UHFFFAOYSA-N
XLogP3.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyrimidine-4-carboxylic acid
CID 107553535
N-[1-(furan-2-yl)ethyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 112691697
4-N-ethyl-6-methoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80800600
4,6-dimethoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 115354957
5-bromo-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine
CID 103745877
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,6-dimethoxypyrimidin-2-amine
CID 115355042
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 112638162
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol
CID 112691748
N-(dicyclopropylmethyl)-4-methoxy-6-methylpyrimidin-2-amine
CID 112691713
4,6-dimethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine
CID 115355155
3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43196418
4-methyl-6-propoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 112636733

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine (CID 112691799) is 4-methoxy-6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine is COc1cc(C)nc(NC(C)c2ccc(C)s2)n1.
What is the InChIKey of 4-methoxy-6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine?
The InChIKey is AVGPUSNDSQIBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-8-7-12(17-4)16-13(14-8)15-10(3)11-6-5-9(2)18-11/h5-7,10H,1-4H3,(H,14,15,16).
What are the key properties of 4-methoxy-6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine?
4-methoxy-6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine has a molecular weight of 263.37 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 112691799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).