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

C13H16BrN3S — CID 66305557

IUPAC5-bromo-N-methyl-6-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCCCc1nc(Cc2cccs2)nc(NC)c1Br
InChIInChI=1S/C13H16BrN3S/c1-3-5-10-12(14)13(15-2)17-11(16-10)8-9-6-4-7-18-9/h4,6-7H,3,5,8H2,1-2H3,(H,15,16,17)
InChIKeyPNYRFDDPAVNDPM-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.89
Rot. Bonds5

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

5-bromo-N-methyl-6-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 66305557) has the molecular formula C13H16BrN3S and a molecular weight of 326.26 g/mol. Its IUPAC name is 5-bromo-N-methyl-6-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-6-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID66305557
Molecular FormulaC13H16BrN3S
Molecular Weight326.26 g/mol
Exact Mass325.02
IUPAC Name5-bromo-N-methyl-6-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCCCc1nc(Cc2cccs2)nc(NC)c1Br
InChIInChI=1S/C13H16BrN3S/c1-3-5-10-12(14)13(15-2)17-11(16-10)8-9-6-4-7-18-9/h4,6-7H,3,5,8H2,1-2H3,(H,15,16,17)
InChIKeyPNYRFDDPAVNDPM-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine
CID 66306541
5-bromo-N-ethyl-6-methyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66306673
5-bromo-2-[(2-fluorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66305152
5-bromo-2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66307338
5-bromo-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propylpyrimidin-4-amine
CID 66304757
5-bromo-6-methyl-N-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66304693
5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66305550
5-bromo-2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66307745
5-bromo-2-(2,2-dimethylpropyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66305753
5-bromo-N-methyl-6-propyl-2-thiophen-3-ylpyrimidin-4-amine
CID 66304958
5-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66304952
4-propyl-2-(thiophen-2-ylmethyl)pyrimidine-5-carboxylic acid
CID 55079363

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-6-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-methyl-6-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 66305557) is 5-bromo-N-methyl-6-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-methyl-6-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-methyl-6-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine is CCCc1nc(Cc2cccs2)nc(NC)c1Br.
What is the InChIKey of 5-bromo-N-methyl-6-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is PNYRFDDPAVNDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3S/c1-3-5-10-12(14)13(15-2)17-11(16-10)8-9-6-4-7-18-9/h4,6-7H,3,5,8H2,1-2H3,(H,15,16,17).
What are the key properties of 5-bromo-N-methyl-6-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine?
5-bromo-N-methyl-6-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 326.26 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-6-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66305557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).