N,4-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-2-amine

C12H15N3OS — CID 80872249

IUPACN,4-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-2-amine
SMILESCNc1nc(C)cc(OCCc2cccs2)n1
InChIInChI=1S/C12H15N3OS/c1-9-8-11(15-12(13-2)14-9)16-6-5-10-4-3-7-17-10/h3-4,7-8H,5-6H2,1-2H3,(H,13,14,15)
InChIKeyACKOWUXLEOBZMZ-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.51
Rot. Bonds5

About N,4-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-2-amine

N,4-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-2-amine (PubChem CID 80872249) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N,4-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-2-amine
PubChem CID80872249
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN,4-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-2-amine
SMILESCNc1nc(C)cc(OCCc2cccs2)n1
InChIInChI=1S/C12H15N3OS/c1-9-8-11(15-12(13-2)14-9)16-6-5-10-4-3-7-17-10/h3-4,7-8H,5-6H2,1-2H3,(H,13,14,15)
InChIKeyACKOWUXLEOBZMZ-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-6-(thiophen-2-ylmethoxy)pyrimidin-2-amine
CID 80873043
N,4-dimethyl-6-(2-phenoxyethoxy)pyrimidin-2-amine
CID 80859312
4-ethoxy-N-methyl-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80873581
2-N,6-dimethyl-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80809499
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,6-dimethylpyrimidin-2-amine
CID 104568171
6-ethyl-N-methyl-4-(2-thiophen-2-ylethoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332286
4-methyl-6-propoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 112636733
4-methyl-6-propoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine
CID 115974776
2-N,4-N,6-trimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80850116
N,4-dimethyl-6-(2-methylpropoxy)pyrimidin-2-amine
CID 80860281
2-propyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
CID 80949925
4-ethoxy-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine
CID 112637254

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-2-amine?
The IUPAC name of N,4-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-2-amine (CID 80872249) is N,4-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-2-amine.
What is the SMILES notation for N,4-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-2-amine?
The canonical SMILES for N,4-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-2-amine is CNc1nc(C)cc(OCCc2cccs2)n1.
What is the InChIKey of N,4-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-2-amine?
The InChIKey is ACKOWUXLEOBZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-9-8-11(15-12(13-2)14-9)16-6-5-10-4-3-7-17-10/h3-4,7-8H,5-6H2,1-2H3,(H,13,14,15).
What are the key properties of N,4-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-2-amine?
N,4-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-2-amine has a molecular weight of 249.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-2-amine is sourced from PubChem (CID 80872249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).