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

C13H16BrN3S — CID 66304693

IUPAC5-bromo-6-methyl-N-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCCCNc1nc(Cc2cccs2)nc(C)c1Br
InChIInChI=1S/C13H16BrN3S/c1-3-6-15-13-12(14)9(2)16-11(17-13)8-10-5-4-7-18-10/h4-5,7H,3,6,8H2,1-2H3,(H,15,16,17)
InChIKeyQAHOAMCSQQUEOM-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.02
Rot. Bonds5

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

5-bromo-6-methyl-N-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 66304693) has the molecular formula C13H16BrN3S and a molecular weight of 326.26 g/mol. Its IUPAC name is 5-bromo-6-methyl-N-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-methyl-N-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID66304693
Molecular FormulaC13H16BrN3S
Molecular Weight326.26 g/mol
Exact Mass325.02
IUPAC Name5-bromo-6-methyl-N-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCCCNc1nc(Cc2cccs2)nc(C)c1Br
InChIInChI=1S/C13H16BrN3S/c1-3-6-15-13-12(14)9(2)16-11(17-13)8-10-5-4-7-18-10/h4-5,7H,3,6,8H2,1-2H3,(H,15,16,17)
InChIKeyQAHOAMCSQQUEOM-UHFFFAOYSA-N
XLogP4.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-ethyl-6-methyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66306673
5-bromo-2-[(2-fluorophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 66307477
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
5-bromo-6-methyl-N,2-dipropylpyrimidin-4-amine
CID 66307676
N-ethyl-6-methyl-5-propan-2-yl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 62913456
2-ethyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80994020
5-bromo-2-(methoxymethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66306879
[6-methyl-5-propan-2-yl-2-(thiophen-2-ylmethyl)pyrimidin-4-yl]hydrazine
CID 62915896
5-bromo-2,6-dimethyl-N-propylpyrimidin-4-amine
CID 66304687
5-bromo-2-(2-methoxypropyl)-6-methyl-N-propylpyrimidin-4-amine
CID 113391676
5-bromo-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazole
CID 102617959

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-N-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-methyl-N-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 66304693) is 5-bromo-6-methyl-N-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-methyl-N-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-methyl-N-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine is CCCNc1nc(Cc2cccs2)nc(C)c1Br.
What is the InChIKey of 5-bromo-6-methyl-N-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is QAHOAMCSQQUEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3S/c1-3-6-15-13-12(14)9(2)16-11(17-13)8-10-5-4-7-18-10/h4-5,7H,3,6,8H2,1-2H3,(H,15,16,17).
What are the key properties of 5-bromo-6-methyl-N-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine?
5-bromo-6-methyl-N-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 326.26 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-N-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66304693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).