6-ethoxy-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine

C12H15N3OS — CID 66327283

IUPAC6-ethoxy-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
SMILESCCOc1ncnc(NCc2ccsc2)c1C
InChIInChI=1S/C12H15N3OS/c1-3-16-12-9(2)11(14-8-15-12)13-6-10-4-5-17-7-10/h4-5,7-8H,3,6H2,1-2H3,(H,13,14,15)
InChIKeyRKJQKJXCYBGGBU-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.86
Rot. Bonds5

About 6-ethoxy-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine

6-ethoxy-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine (PubChem CID 66327283) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 6-ethoxy-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
PubChem CID66327283
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name6-ethoxy-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
SMILESCCOc1ncnc(NCc2ccsc2)c1C
InChIInChI=1S/C12H15N3OS/c1-3-16-12-9(2)11(14-8-15-12)13-6-10-4-5-17-7-10/h4-5,7-8H,3,6H2,1-2H3,(H,13,14,15)
InChIKeyRKJQKJXCYBGGBU-UHFFFAOYSA-N
XLogP2.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 114332523
6-chloro-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 63729876
N-[(4-chlorophenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 66326004
6-ethoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 66325638
6-ethoxy-5-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
CID 66327056
6-ethoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 66327674
6-ethoxy-5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 114128058
3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 66325204
N-[(3-amino-4-methoxyphenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 66327604
6-ethoxy-N-(furan-2-ylmethyl)-5-methylpyrimidin-4-amine
CID 66326618
6-ethoxy-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 66325604
6-ethoxy-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 82872861

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine (CID 66327283) is 6-ethoxy-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine is CCOc1ncnc(NCc2ccsc2)c1C.
What is the InChIKey of 6-ethoxy-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is RKJQKJXCYBGGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-3-16-12-9(2)11(14-8-15-12)13-6-10-4-5-17-7-10/h4-5,7-8H,3,6H2,1-2H3,(H,13,14,15).
What are the key properties of 6-ethoxy-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
6-ethoxy-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 249.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66327283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).