5-bromo-N-ethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine

C12H14BrN3OS — CID 114073380

IUPAC5-bromo-N-ethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
SMILESCCNc1ncnc(OCCc2cccs2)c1Br
InChIInChI=1S/C12H14BrN3OS/c1-2-14-11-10(13)12(16-8-15-11)17-6-5-9-4-3-7-18-9/h3-4,7-8H,2,5-6H2,1H3,(H,14,15,16)
InChIKeyDZLHJFXZHOTYBP-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.35
Rot. Bonds6

About 5-bromo-N-ethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine

5-bromo-N-ethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine (PubChem CID 114073380) has the molecular formula C12H14BrN3OS and a molecular weight of 328.24 g/mol. Its IUPAC name is 5-bromo-N-ethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
PubChem CID114073380
Molecular FormulaC12H14BrN3OS
Molecular Weight328.24 g/mol
Exact Mass327.00
IUPAC Name5-bromo-N-ethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
SMILESCCNc1ncnc(OCCc2cccs2)c1Br
InChIInChI=1S/C12H14BrN3OS/c1-2-14-11-10(13)12(16-8-15-11)17-6-5-9-4-3-7-18-9/h3-4,7-8H,2,5-6H2,1H3,(H,14,15,16)
InChIKeyDZLHJFXZHOTYBP-UHFFFAOYSA-N
XLogP3.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-6-(2-cyclopropylethoxy)-N-ethylpyrimidin-4-amine
CID 106207427
N-ethyl-5-nitro-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80873175
4-N-(2-methoxyethyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19150523
5-bromo-4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N-ethylpyrimidine-4,6-diamine
CID 106042391
2-ethyl-N,5-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
CID 80990033
3-bromo-5-methyl-2-(2-thiophen-2-ylethoxy)pyridine
CID 105368298
N-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine
CID 62323331
6-propan-2-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 19152546
3,5-dichloro-N-propyl-6-(2-thiophen-2-ylethoxy)pyridin-2-amine
CID 102760896
N-ethyl-4-methoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80873852
N-ethyl-6-methyl-4-(2-thiophen-2-ylethoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332290
4-(2-thiophen-2-ylethoxy)pyrimidin-5-amine
CID 79916541

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine (CID 114073380) is 5-bromo-N-ethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine is CCNc1ncnc(OCCc2cccs2)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine?
The InChIKey is DZLHJFXZHOTYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3OS/c1-2-14-11-10(13)12(16-8-15-11)17-6-5-9-4-3-7-18-9/h3-4,7-8H,2,5-6H2,1H3,(H,14,15,16).
What are the key properties of 5-bromo-N-ethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine?
5-bromo-N-ethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine has a molecular weight of 328.24 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine is sourced from PubChem (CID 114073380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).