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

C12H14BrN3S — CID 66306673

IUPAC5-bromo-N-ethyl-6-methyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCCNc1nc(Cc2cccs2)nc(C)c1Br
InChIInChI=1S/C12H14BrN3S/c1-3-14-12-11(13)8(2)15-10(16-12)7-9-5-4-6-17-9/h4-6H,3,7H2,1-2H3,(H,14,15,16)
InChIKeyHLXFXQPDXKQUMI-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.63
Rot. Bonds4

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

5-bromo-N-ethyl-6-methyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 66306673) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is 5-bromo-N-ethyl-6-methyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-6-methyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID66306673
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC Name5-bromo-N-ethyl-6-methyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCCNc1nc(Cc2cccs2)nc(C)c1Br
InChIInChI=1S/C12H14BrN3S/c1-3-14-12-11(13)8(2)15-10(16-12)7-9-5-4-6-17-9/h4-6H,3,7H2,1-2H3,(H,14,15,16)
InChIKeyHLXFXQPDXKQUMI-UHFFFAOYSA-N
XLogP3.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-methyl-N-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66304693
N-ethyl-6-methyl-5-propan-2-yl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 62913456
5-bromo-4-chloro-6-methyl-2-(thiophen-2-ylmethyl)pyrimidine
CID 66294351
5-bromo-N-methyl-6-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66305557
[6-methyl-5-propan-2-yl-2-(thiophen-2-ylmethyl)pyrimidin-4-yl]hydrazine
CID 62915896
5-bromo-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazole
CID 102617959
N,5,6-trimethyl-2-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62502874
N-[[4,6-dimethyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62746521
4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-amine
CID 130483640
5-bromo-2-[(2-fluorophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 66307477
2-[(2-bromophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 62830547
5-bromo-N-ethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
CID 114073380

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-6-methyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-6-methyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 66306673) is 5-bromo-N-ethyl-6-methyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-6-methyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-6-methyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine is CCNc1nc(Cc2cccs2)nc(C)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-6-methyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is HLXFXQPDXKQUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c1-3-14-12-11(13)8(2)15-10(16-12)7-9-5-4-6-17-9/h4-6H,3,7H2,1-2H3,(H,14,15,16).
What are the key properties of 5-bromo-N-ethyl-6-methyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine?
5-bromo-N-ethyl-6-methyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 312.24 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-6-methyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66306673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).