4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine

C12H17N5OS — CID 86816209

IUPAC4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCCOc1cc(NCc2csc(N(C)C)n2)ncn1
InChIInChI=1S/C12H17N5OS/c1-4-18-11-5-10(14-8-15-11)13-6-9-7-19-12(16-9)17(2)3/h5,7-8H,4,6H2,1-3H3,(H,13,14,15)
InChIKeyRECNCKCNTNROCP-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.01
Rot. Bonds6

About 4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine

4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 86816209) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID86816209
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCCOc1cc(NCc2csc(N(C)C)n2)ncn1
InChIInChI=1S/C12H17N5OS/c1-4-18-11-5-10(14-8-15-11)13-6-9-7-19-12(16-9)17(2)3/h5,7-8H,4,6H2,1-3H3,(H,13,14,15)
InChIKeyRECNCKCNTNROCP-UHFFFAOYSA-N
XLogP2.01
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine (CID 86816209) is 4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine is CCOc1cc(NCc2csc(N(C)C)n2)ncn1.
What is the InChIKey of 4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is RECNCKCNTNROCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-4-18-11-5-10(14-8-15-11)13-6-9-7-19-12(16-9)17(2)3/h5,7-8H,4,6H2,1-3H3,(H,13,14,15).
What are the key properties of 4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 279.37 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 86816209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).